Relationship Network
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1001
- Core Entity Id
- 4308
- Source Entity Count
- 1
- Preferred Name
- 2,5-bis(1-methyl-1-silacyclobutyl)-p-xylene
- Name En
- Pubchem Id
- 612795
- Smiles Canonical
- CC1=CC(=C(C=C1[Si]2(CCC2)C)C)[Si]3(CCC3)C
- Molecular Formula
- C16H26Si2
- Molecular Weight
- 274.5560
- Inchikey
- DEZUKPRPPRPIMD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H26Si2/c1-13-11-16(18(4)9-6-10-18)14(2)12-15(13)17(3)7-5-8-17/h11-12H,5-10H2,1-4H3
- Isomeric Smiles
- CC1=CC(=C(C=C1[Si]2(CCC2)C)C)[Si]3(CCC3)C
- Cas Id
- Ob Score
- Mol Logp
- 3.6820
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7220
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,5-bis(1-methyl-1-silacyclobutyl)-p-xylene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,5-bis(1-methyl-1-silacyclobutyl)-p-xylene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,5-bis(1-methyl-1-silacyclobutyl)-p-xylene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1-[2,5-Dimethyl-4-(1-methyl-1-siletanyl)phenyl]-1-methylsiletane #
Role
alias
Source
HERB_v2
Preferred
No
Name
1-[2,5-Dimethyl-4-(1-methyl-1-siletanyl)phenyl]-1-methylsiletane #
Role
alias
Source
itcmdb_public
Preferred
No
Name
DEZUKPRPPRPIMD-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
DEZUKPRPPRPIMD-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-[2,5-Dimethyl-4-(1-methyl-1-siletanyl)phenyl]-1-methylsiletane #DEZUKPRPPRPIMD-UHFFFAOYSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004604
Npass
NPC266575
Tcmid
40861
Pub Chem
612795
Tcmbank
TCMBANKIN000897
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H26Si2/c1-13-11-16(18(4)9-6-10-18)14(2)12-15(13)17(3)7-5-8-17/h11-12H,5-10H2,1-4H3
Mol Wt
274.556
Smiles
CC1=CC(=C(C=C1[Si]2(CCC2)C)C)[Si]3(CCC3)C
Mol Log P
3.682040000000002
In Ch Ikey
DEZUKPRPPRPIMD-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.722
Num Hacceptors
0
Isomeric Smiles
CC1=CC(=C(C=C1[Si]2(CCC2)C)C)[Si]3(CCC3)C
Canonical Smiles
CC1=CC(=C(C=C1[Si]2(CCC2)C)C)[Si]3(CCC3)C
Herb Alias Names
DEZUKPRPPRPIMD-UHFFFAOYSA-N1-[2,5-Dimethyl-4-(1-methyl-1-siletanyl)phenyl]-1-methylsiletane #
Molecular Weight
274.55 g/mol
Molecular Formula
C16H26Si2
Molecular Formula
C16H26Si2
Num Rotatable Bonds
2