Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 5913
- Core Entity Id
- 9757
- Source Entity Count
- 1
- Preferred Name
- 4-diisopropylsilyloxytetradecane
- Name En
- Pubchem Id
- 6329030
- Smiles Canonical
- CCCCCCCCCCC(CCC)O[Si](C(C)C)C(C)C
- Molecular Formula
- C20H43OSi
- Molecular Weight
- 327.6490
- Inchikey
- ZCCCCUDMCLHJRZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H43OSi/c1-7-9-10-11-12-13-14-15-17-20(16-8-2)21-22(18(3)4)19(5)6/h18-20H,7-17H2,1-6H3
- Isomeric Smiles
- CCCCCCCCCCC(CCC)O[Si](C(C)C)C(C)C
- Cas Id
- Ob Score
- 21.3180
- Mol Logp
- 7.5140
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 15
- Drug Likeness
- 0.2230
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-Diisopropylsilyloxytetradecane
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
4-Diisopropylsilyloxytetradecane
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
4-Diisopropylsilyloxytetradecane
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-Diisopropylsilyloxytetradecane
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4-diisopropylsilyloxytetradecane
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4-diisopropylsilyloxytetradecane
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Diisopropylsilyl 1-propylundecyl ether #
Role
alias
Source
HERB_v2
Preferred
No
Name
Diisopropylsilyl 1-propylundecyl ether #
Role
alias
Source
itcmdb_public
Preferred
No
Name
IJNFAUHEQHKYFS-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
IJNFAUHEQHKYFS-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Diisopropylsilyl 1-propylundecyl ether #IJNFAUHEQHKYFS-UHFFFAOYSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010329
Tcmsp
MOL003467
Sym Map
SMIT05530
Pub Chem
6329030
Tcmbank
TCMBANKIN024100
Etcm Ingredient
4-Diisopropylsilyloxytetradecane
Itcmdb Generated
ITX-INGREDIENT-9E3C7701CB4A
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C20H43OSi/c1-7-9-10-11-12-13-14-15-17-20(16-8-2)21-22(18(3)4)19(5)6/h18-20H,7-17H2,1-6H3
Mol Wt
327.6490000000001
Smiles
CCCCCCCCCCC(CCC)O[Si](C(C)C)C(C)C
Mol Log P
7.514000000000008
Version
v1,v2
In Ch Ikey
ZCCCCUDMCLHJRZ-UHFFFAOYSA-N
Ob Score
21.31821.3181738721.318174
Suppress
0
Num Hdonors
0
Drug Likeness
0.223
Num Hacceptors
1
Isomeric Smiles
CCCCCCCCCCC(CCC)O[Si](C(C)C)C(C)C
Molecule Weight
328.73
Canonical Smiles
CCCCCCCCCCC(CCC)O[Si](C(C)C)C(C)C
Herb Alias Names
IJNFAUHEQHKYFS-UHFFFAOYSA-NDiisopropylsilyl 1-propylundecyl ether #
Molecular Weight
327.310
Molecular Weight
327.6 g/mol
Molecular Formula
C20H43OSi
Molecular Formula
C20H43OSi
Molecular Formula
C20H43OSi
Num Rotatable Bonds
15
Fda Maximum Daily Dose (Fdamdd)
0.011
Quantitative Estimate Of Drug Likeness（Qed）
0.223