1-(6-ethyl-1-hydroxy-6-triethylsilyloxyoct-4-en-2-yl)-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol

C26H48O3Si — CID 72971798

IUPAC1-(6-ethyl-1-hydroxy-6-triethylsilyloxyoct-4-en-2-yl)-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol
SMILESCCC(C=CCC(CO)C1=CCC2C(O)CCCC12C)(CC)O[Si](CC)(CC)CC
InChIInChI=1S/C26H48O3Si/c1-7-26(8-2,29-30(9-3,10-4)11-5)19-12-14-21(20-27)22-16-17-23-24(28)15-13-18-25(22,23)6/h12,16,19,21,23-24,27-28H,7-11,13-15,17-18,20H2,1-6H3
InChIKeyBFTMRHKDCVFDDU-UHFFFAOYSA-N
MW436.75 g/mol
LogP6.62
Rot. Bonds12

About 1-(6-ethyl-1-hydroxy-6-triethylsilyloxyoct-4-en-2-yl)-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol

1-(6-ethyl-1-hydroxy-6-triethylsilyloxyoct-4-en-2-yl)-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol (PubChem CID 72971798) has the molecular formula C26H48O3Si and a molecular weight of 436.75 g/mol. Its IUPAC name is 1-(6-ethyl-1-hydroxy-6-triethylsilyloxyoct-4-en-2-yl)-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol.

Molecular Properties

Compound Name1-(6-ethyl-1-hydroxy-6-triethylsilyloxyoct-4-en-2-yl)-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol
PubChem CID72971798
Molecular FormulaC26H48O3Si
Molecular Weight436.75 g/mol
Exact Mass436.34
IUPAC Name1-(6-ethyl-1-hydroxy-6-triethylsilyloxyoct-4-en-2-yl)-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol
SMILESCCC(C=CCC(CO)C1=CCC2C(O)CCCC12C)(CC)O[Si](CC)(CC)CC
InChIInChI=1S/C26H48O3Si/c1-7-26(8-2,29-30(9-3,10-4)11-5)19-12-14-21(20-27)22-16-17-23-24(28)15-13-18-25(22,23)6/h12,16,19,21,23-24,27-28H,7-11,13-15,17-18,20H2,1-6H3
InChIKeyBFTMRHKDCVFDDU-UHFFFAOYSA-N
XLogP6.62
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.75
LogP ≤ 56.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(6-ethyl-1-hydroxy-6-triethylsilyloxyoct-4-en-2-yl)-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol with MolForge

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Launch Full Analysis

Related Compounds

(4S,7aS)-7a-methyl-1-[1-[(E)-5,5,5-trifluoro-4-(trifluoromethyl)-4-trimethylsilyloxypent-2-enyl]cyclopropyl]-3,3a,4,5,6,7-hexahydroinden-4-ol
CID 59867614
(4S,7aS)-7a-methyl-1-[1-[5,5,5-trifluoro-4-(trifluoromethyl)-4-trimethylsilyloxypent-2-enyl]cyclopropyl]-3,3a,4,5,6,7-hexahydroinden-4-ol
CID 90822200
(1R,3aR,4S,7aR)-1-[(E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
CID 58221243
(E)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-en-3-ol
CID 10595092
3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]pent-3-en-2-ol
CID 11122130
(1S)-1-[(3aR,4S,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-3,3a,4,5,6,7-hexahydroinden-1-yl]ethane-1,2-diol
CID 101743209
4-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-ol
CID 134835026
(Z)-6-[(3aS,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]-2-methylhex-5-en-2-ol
CID 134931506
1-[Tert-butyl(dimethyl)silyl]oxy-3-methyl-1,4,5,6,7,7a-hexahydroinden-3a-ol
CID 138968651
(4S,7R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyl-4-propan-2-yl-1,4,5,6,7,7a-hexahydroinden-3a-ol
CID 138968869
(1S,3aS,7aR)-1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1,4,5,6,7,7a-hexahydroinden-3a-ol
CID 138970729
(1R,3aS,7aR)-1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1,4,5,6,7,7a-hexahydroinden-3a-ol
CID 138970850

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-1-hydroxy-6-triethylsilyloxyoct-4-en-2-yl)-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol?
The IUPAC name of 1-(6-ethyl-1-hydroxy-6-triethylsilyloxyoct-4-en-2-yl)-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol (CID 72971798) is 1-(6-ethyl-1-hydroxy-6-triethylsilyloxyoct-4-en-2-yl)-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol.
What is the SMILES notation for 1-(6-ethyl-1-hydroxy-6-triethylsilyloxyoct-4-en-2-yl)-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol?
The canonical SMILES for 1-(6-ethyl-1-hydroxy-6-triethylsilyloxyoct-4-en-2-yl)-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol is CCC(C=CCC(CO)C1=CCC2C(O)CCCC12C)(CC)O[Si](CC)(CC)CC.
What is the InChIKey of 1-(6-ethyl-1-hydroxy-6-triethylsilyloxyoct-4-en-2-yl)-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol?
The InChIKey is BFTMRHKDCVFDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48O3Si/c1-7-26(8-2,29-30(9-3,10-4)11-5)19-12-14-21(20-27)22-16-17-23-24(28)15-13-18-25(22,23)6/h12,16,19,21,23-24,27-28H,7-11,13-15,17-18,20H2,1-6H3.
What are the key properties of 1-(6-ethyl-1-hydroxy-6-triethylsilyloxyoct-4-en-2-yl)-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol?
1-(6-ethyl-1-hydroxy-6-triethylsilyloxyoct-4-en-2-yl)-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol has a molecular weight of 436.75 g/mol, XLogP of 6.62, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-1-hydroxy-6-triethylsilyloxyoct-4-en-2-yl)-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol is sourced from PubChem (CID 72971798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).