(4E,6E,8R)-8-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3-ethylnona-4,6-dien-3-ol

C27H50O2Si — CID 58672995

IUPAC(4E,6E,8R)-8-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3-ethylnona-4,6-dien-3-ol
SMILESCCC(O)(/C=C/C=C/[C@@H](C)C1CCC2[C@@H](O[Si](C)(C)C(C)(C)C)CCCC12C)CC
InChIInChI=1S/C27H50O2Si/c1-10-27(28,11-2)20-13-12-15-21(3)22-17-18-23-24(16-14-19-26(22,23)7)29-30(8,9)25(4,5)6/h12-13,15,20-24,28H,10-11,14,16-19H2,1-9H3/b15-12+,20-13+/t21-,22?,23?,24+,26?/m1/s1
InChIKeyQBSNHAVDBDDKFP-URXHFVAQSA-N
MW434.78 g/mol
LogP7.89
Rot. Bonds8

About (4E,6E,8R)-8-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3-ethylnona-4,6-dien-3-ol

(4E,6E,8R)-8-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3-ethylnona-4,6-dien-3-ol (PubChem CID 58672995) has the molecular formula C27H50O2Si and a molecular weight of 434.78 g/mol. Its IUPAC name is (4E,6E,8R)-8-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3-ethylnona-4,6-dien-3-ol.

Molecular Properties

Compound Name(4E,6E,8R)-8-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3-ethylnona-4,6-dien-3-ol
PubChem CID58672995
Molecular FormulaC27H50O2Si
Molecular Weight434.78 g/mol
Exact Mass434.36
IUPAC Name(4E,6E,8R)-8-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3-ethylnona-4,6-dien-3-ol
SMILESCCC(O)(/C=C/C=C/[C@@H](C)C1CCC2[C@@H](O[Si](C)(C)C(C)(C)C)CCCC12C)CC
InChIInChI=1S/C27H50O2Si/c1-10-27(28,11-2)20-13-12-15-21(3)22-17-18-23-24(16-14-19-26(22,23)7)29-30(8,9)25(4,5)6/h12-13,15,20-24,28H,10-11,14,16-19H2,1-9H3/b15-12+,20-13+/t21-,22?,23?,24+,26?/m1/s1
InChIKeyQBSNHAVDBDDKFP-URXHFVAQSA-N
XLogP7.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.78
LogP ≤ 57.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4E,6E,8R)-8-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3-ethylnona-4,6-dien-3-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 (4E,6E,8R)-8-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3-ethylnona-4,6-dien-3-ol?
The IUPAC name of (4E,6E,8R)-8-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3-ethylnona-4,6-dien-3-ol (CID 58672995) is (4E,6E,8R)-8-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3-ethylnona-4,6-dien-3-ol.
What is the SMILES notation for (4E,6E,8R)-8-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3-ethylnona-4,6-dien-3-ol?
The canonical SMILES for (4E,6E,8R)-8-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3-ethylnona-4,6-dien-3-ol is CCC(O)(/C=C/C=C/[C@@H](C)C1CCC2[C@@H](O[Si](C)(C)C(C)(C)C)CCCC12C)CC.
What is the InChIKey of (4E,6E,8R)-8-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3-ethylnona-4,6-dien-3-ol?
The InChIKey is QBSNHAVDBDDKFP-URXHFVAQSA-N. The full InChI is InChI=1S/C27H50O2Si/c1-10-27(28,11-2)20-13-12-15-21(3)22-17-18-23-24(16-14-19-26(22,23)7)29-30(8,9)25(4,5)6/h12-13,15,20-24,28H,10-11,14,16-19H2,1-9H3/b15-12+,20-13+/t21-,22?,23?,24+,26?/m1/s1.
What are the key properties of (4E,6E,8R)-8-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3-ethylnona-4,6-dien-3-ol?
(4E,6E,8R)-8-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3-ethylnona-4,6-dien-3-ol has a molecular weight of 434.78 g/mol, XLogP of 7.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E,8R)-8-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3-ethylnona-4,6-dien-3-ol is sourced from PubChem (CID 58672995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).