(4aS,6S,7R)-3,5,5,9-tetramethyl-7-trimethylsilyl-1,2,4a,6,7,8-hexahydrobenzo[7]annulen-6-ol

C18H32OSi — CID 11716275

IUPAC(4aS,6S,7R)-3,5,5,9-tetramethyl-7-trimethylsilyl-1,2,4a,6,7,8-hexahydrobenzo[7]annulen-6-ol
SMILESCC1=C[C@H]2C(=C(C)C[C@@H]([Si](C)(C)C)[C@@H](O)C2(C)C)CC1
InChIInChI=1S/C18H32OSi/c1-12-8-9-14-13(2)11-16(20(5,6)7)17(19)18(3,4)15(14)10-12/h10,15-17,19H,8-9,11H2,1-7H3/t15-,16+,17+/m0/s1
InChIKeyCGVBFOKXBXFATE-GVDBMIGSSA-N
MW292.54 g/mol
LogP5.16
Rot. Bonds1

About (4aS,6S,7R)-3,5,5,9-tetramethyl-7-trimethylsilyl-1,2,4a,6,7,8-hexahydrobenzo[7]annulen-6-ol

(4aS,6S,7R)-3,5,5,9-tetramethyl-7-trimethylsilyl-1,2,4a,6,7,8-hexahydrobenzo[7]annulen-6-ol (PubChem CID 11716275) has the molecular formula C18H32OSi and a molecular weight of 292.54 g/mol. Its IUPAC name is (4aS,6S,7R)-3,5,5,9-tetramethyl-7-trimethylsilyl-1,2,4a,6,7,8-hexahydrobenzo[7]annulen-6-ol.

Molecular Properties

Compound Name(4aS,6S,7R)-3,5,5,9-tetramethyl-7-trimethylsilyl-1,2,4a,6,7,8-hexahydrobenzo[7]annulen-6-ol
PubChem CID11716275
Molecular FormulaC18H32OSi
Molecular Weight292.54 g/mol
Exact Mass292.22
IUPAC Name(4aS,6S,7R)-3,5,5,9-tetramethyl-7-trimethylsilyl-1,2,4a,6,7,8-hexahydrobenzo[7]annulen-6-ol
SMILESCC1=C[C@H]2C(=C(C)C[C@@H]([Si](C)(C)C)[C@@H](O)C2(C)C)CC1
InChIInChI=1S/C18H32OSi/c1-12-8-9-14-13(2)11-16(20(5,6)7)17(19)18(3,4)15(14)10-12/h10,15-17,19H,8-9,11H2,1-7H3/t15-,16+,17+/m0/s1
InChIKeyCGVBFOKXBXFATE-GVDBMIGSSA-N
XLogP5.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.54
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4aS,6S,7R)-3,5,5,9-tetramethyl-7-trimethylsilyl-1,2,4a,6,7,8-hexahydrobenzo[7]annulen-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aS,6S,7R)-3,5,5,9-tetramethyl-7-trimethylsilyl-1,2,4a,6,7,8-hexahydrobenzo[7]annulen-6-ol?
The IUPAC name of (4aS,6S,7R)-3,5,5,9-tetramethyl-7-trimethylsilyl-1,2,4a,6,7,8-hexahydrobenzo[7]annulen-6-ol (CID 11716275) is (4aS,6S,7R)-3,5,5,9-tetramethyl-7-trimethylsilyl-1,2,4a,6,7,8-hexahydrobenzo[7]annulen-6-ol.
What is the SMILES notation for (4aS,6S,7R)-3,5,5,9-tetramethyl-7-trimethylsilyl-1,2,4a,6,7,8-hexahydrobenzo[7]annulen-6-ol?
The canonical SMILES for (4aS,6S,7R)-3,5,5,9-tetramethyl-7-trimethylsilyl-1,2,4a,6,7,8-hexahydrobenzo[7]annulen-6-ol is CC1=C[C@H]2C(=C(C)C[C@@H]([Si](C)(C)C)[C@@H](O)C2(C)C)CC1.
What is the InChIKey of (4aS,6S,7R)-3,5,5,9-tetramethyl-7-trimethylsilyl-1,2,4a,6,7,8-hexahydrobenzo[7]annulen-6-ol?
The InChIKey is CGVBFOKXBXFATE-GVDBMIGSSA-N. The full InChI is InChI=1S/C18H32OSi/c1-12-8-9-14-13(2)11-16(20(5,6)7)17(19)18(3,4)15(14)10-12/h10,15-17,19H,8-9,11H2,1-7H3/t15-,16+,17+/m0/s1.
What are the key properties of (4aS,6S,7R)-3,5,5,9-tetramethyl-7-trimethylsilyl-1,2,4a,6,7,8-hexahydrobenzo[7]annulen-6-ol?
(4aS,6S,7R)-3,5,5,9-tetramethyl-7-trimethylsilyl-1,2,4a,6,7,8-hexahydrobenzo[7]annulen-6-ol has a molecular weight of 292.54 g/mol, XLogP of 5.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,6S,7R)-3,5,5,9-tetramethyl-7-trimethylsilyl-1,2,4a,6,7,8-hexahydrobenzo[7]annulen-6-ol is sourced from PubChem (CID 11716275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).