6-[(4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-6-en-2-ol

C24H46O2Si — CID 59842261

IUPAC6-[(4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-6-en-2-ol
SMILESC=C(CCCC(C)(C)O)C1CCC2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]12C
InChIInChI=1S/C24H46O2Si/c1-18(12-10-16-23(5,6)25)19-14-15-20-21(13-11-17-24(19,20)7)26-27(8,9)22(2,3)4/h19-21,25H,1,10-17H2,2-9H3/t19?,20?,21-,24+/m0/s1
InChIKeySPBVHVGAZHRJSR-AUDFTCOISA-N
MW394.72 g/mol
LogP7.09
Rot. Bonds7

About 6-[(4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-6-en-2-ol

6-[(4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-6-en-2-ol (PubChem CID 59842261) has the molecular formula C24H46O2Si and a molecular weight of 394.72 g/mol. Its IUPAC name is 6-[(4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-6-en-2-ol.

Molecular Properties

Compound Name6-[(4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-6-en-2-ol
PubChem CID59842261
Molecular FormulaC24H46O2Si
Molecular Weight394.72 g/mol
Exact Mass394.33
IUPAC Name6-[(4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-6-en-2-ol
SMILESC=C(CCCC(C)(C)O)C1CCC2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]12C
InChIInChI=1S/C24H46O2Si/c1-18(12-10-16-23(5,6)25)19-14-15-20-21(13-11-17-24(19,20)7)26-27(8,9)22(2,3)4/h19-21,25H,1,10-17H2,2-9H3/t19?,20?,21-,24+/m0/s1
InChIKeySPBVHVGAZHRJSR-AUDFTCOISA-N
XLogP7.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.72
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[(4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-6-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-6-en-2-ol?
The IUPAC name of 6-[(4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-6-en-2-ol (CID 59842261) is 6-[(4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-6-en-2-ol.
What is the SMILES notation for 6-[(4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-6-en-2-ol?
The canonical SMILES for 6-[(4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-6-en-2-ol is C=C(CCCC(C)(C)O)C1CCC2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]12C.
What is the InChIKey of 6-[(4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-6-en-2-ol?
The InChIKey is SPBVHVGAZHRJSR-AUDFTCOISA-N. The full InChI is InChI=1S/C24H46O2Si/c1-18(12-10-16-23(5,6)25)19-14-15-20-21(13-11-17-24(19,20)7)26-27(8,9)22(2,3)4/h19-21,25H,1,10-17H2,2-9H3/t19?,20?,21-,24+/m0/s1.
What are the key properties of 6-[(4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-6-en-2-ol?
6-[(4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-6-en-2-ol has a molecular weight of 394.72 g/mol, XLogP of 7.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-6-en-2-ol is sourced from PubChem (CID 59842261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).