(2R,3E,3aS,7S)-3-ethylidene-3a-methyl-7-triethylsilyloxy-2,4,5,6,7,7a-hexahydro-1H-inden-2-ol

C18H34O2Si — CID 140609929

IUPAC(2R,3E,3aS,7S)-3-ethylidene-3a-methyl-7-triethylsilyloxy-2,4,5,6,7,7a-hexahydro-1H-inden-2-ol
SMILESC/C=C1/[C@H](O)CC2[C@@H](O[Si](CC)(CC)CC)CCC[C@]12C
InChIInChI=1S/C18H34O2Si/c1-6-14-16(19)13-15-17(11-10-12-18(14,15)5)20-21(7-2,8-3)9-4/h6,15-17,19H,7-13H2,1-5H3/b14-6-/t15?,16-,17+,18-/m1/s1
InChIKeyBLYAKMYLWAGVQM-BECPCEOLSA-N
MW310.55 g/mol
LogP4.89
Rot. Bonds5

About (2R,3E,3aS,7S)-3-ethylidene-3a-methyl-7-triethylsilyloxy-2,4,5,6,7,7a-hexahydro-1H-inden-2-ol

(2R,3E,3aS,7S)-3-ethylidene-3a-methyl-7-triethylsilyloxy-2,4,5,6,7,7a-hexahydro-1H-inden-2-ol (PubChem CID 140609929) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is (2R,3E,3aS,7S)-3-ethylidene-3a-methyl-7-triethylsilyloxy-2,4,5,6,7,7a-hexahydro-1H-inden-2-ol.

Molecular Properties

Compound Name(2R,3E,3aS,7S)-3-ethylidene-3a-methyl-7-triethylsilyloxy-2,4,5,6,7,7a-hexahydro-1H-inden-2-ol
PubChem CID140609929
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name(2R,3E,3aS,7S)-3-ethylidene-3a-methyl-7-triethylsilyloxy-2,4,5,6,7,7a-hexahydro-1H-inden-2-ol
SMILESC/C=C1/[C@H](O)CC2[C@@H](O[Si](CC)(CC)CC)CCC[C@]12C
InChIInChI=1S/C18H34O2Si/c1-6-14-16(19)13-15-17(11-10-12-18(14,15)5)20-21(7-2,8-3)9-4/h6,15-17,19H,7-13H2,1-5H3/b14-6-/t15?,16-,17+,18-/m1/s1
InChIKeyBLYAKMYLWAGVQM-BECPCEOLSA-N
XLogP4.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.55
LogP ≤ 54.89
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'}

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Related Compounds

[(4aR,5S,6R,8aR)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5,8a-dimethyl-6-triethylsilyloxy-3,4,4a,6,7,8-hexahydronaphthalen-2-yl]methanol
CID 11409360
(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-5-fluoro-6-methyl-6-triethylsilyloxyheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethanol
CID 168232553
(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5-fluoro-6-methyl-6-triethylsilyloxyheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethanol
CID 168232584
(2E)-2-[(1R,3aS,7aR)-1-[(2S,3S)-3-fluoro-6-methyl-6-triethylsilyloxyheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethanol
CID 168232605
(2E)-2-[(1R,3aS,7aR)-1-[(2S,3R)-3-fluoro-6-methyl-6-triethylsilyloxyheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethanol
CID 168232608
(2E)-2-[(1R,3aS,7aR)-1-(3-fluoro-6-methyl-6-triethylsilyloxyheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethanol
CID 174105646
2-[(1R,3aS,7aR)-1-[(2S,3R)-3-fluoro-6-methyl-6-triethylsilyloxyheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethanol
CID 174105647
(2E)-2-[(1R,3aS,7aR)-1-(5-fluoro-6-methyl-6-triethylsilyloxyheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethanol
CID 174105763
2-[(1R,3aS,7aR)-1-[(2R,5R)-5-fluoro-6-methyl-6-triethylsilyloxyheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethanol
CID 174105764
2-[(1R,3aS,7aR)-1-[(2S,3S)-3-fluoro-6-methyl-6-triethylsilyloxyheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethanol
CID 174105767
2-[(1R,3aS,7aR)-1-[(2R,5S)-5-fluoro-6-methyl-6-triethylsilyloxyheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethanol
CID 174105793
(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

Frequently Asked Questions

What is the IUPAC name of (2R,3E,3aS,7S)-3-ethylidene-3a-methyl-7-triethylsilyloxy-2,4,5,6,7,7a-hexahydro-1H-inden-2-ol?
The IUPAC name of (2R,3E,3aS,7S)-3-ethylidene-3a-methyl-7-triethylsilyloxy-2,4,5,6,7,7a-hexahydro-1H-inden-2-ol (CID 140609929) is (2R,3E,3aS,7S)-3-ethylidene-3a-methyl-7-triethylsilyloxy-2,4,5,6,7,7a-hexahydro-1H-inden-2-ol.
What is the SMILES notation for (2R,3E,3aS,7S)-3-ethylidene-3a-methyl-7-triethylsilyloxy-2,4,5,6,7,7a-hexahydro-1H-inden-2-ol?
The canonical SMILES for (2R,3E,3aS,7S)-3-ethylidene-3a-methyl-7-triethylsilyloxy-2,4,5,6,7,7a-hexahydro-1H-inden-2-ol is C/C=C1/[C@H](O)CC2[C@@H](O[Si](CC)(CC)CC)CCC[C@]12C.
What is the InChIKey of (2R,3E,3aS,7S)-3-ethylidene-3a-methyl-7-triethylsilyloxy-2,4,5,6,7,7a-hexahydro-1H-inden-2-ol?
The InChIKey is BLYAKMYLWAGVQM-BECPCEOLSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-6-14-16(19)13-15-17(11-10-12-18(14,15)5)20-21(7-2,8-3)9-4/h6,15-17,19H,7-13H2,1-5H3/b14-6-/t15?,16-,17+,18-/m1/s1.
What are the key properties of (2R,3E,3aS,7S)-3-ethylidene-3a-methyl-7-triethylsilyloxy-2,4,5,6,7,7a-hexahydro-1H-inden-2-ol?
(2R,3E,3aS,7S)-3-ethylidene-3a-methyl-7-triethylsilyloxy-2,4,5,6,7,7a-hexahydro-1H-inden-2-ol has a molecular weight of 310.55 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3E,3aS,7S)-3-ethylidene-3a-methyl-7-triethylsilyloxy-2,4,5,6,7,7a-hexahydro-1H-inden-2-ol is sourced from PubChem (CID 140609929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).