(1E,5R,7aS)-1-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-7a-methyl-3,5,6,7-tetrahydro-2H-inden-5-ol

C18H32O2Si — CID 71475274

IUPAC(1E,5R,7aS)-1-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-7a-methyl-3,5,6,7-tetrahydro-2H-inden-5-ol
SMILESCC(C)(C)[Si](C)(C)OC/C=C1\CCC2=C[C@H](O)CC[C@]21C
InChIInChI=1S/C18H32O2Si/c1-17(2,3)21(5,6)20-12-10-14-7-8-15-13-16(19)9-11-18(14,15)4/h10,13,16,19H,7-9,11-12H2,1-6H3/b14-10+/t16-,18+/m1/s1
InChIKeyZQRZEPJGSUTTKQ-NQKFPNJCSA-N
MW308.54 g/mol
LogP4.82
Rot. Bonds3

About (1E,5R,7aS)-1-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-7a-methyl-3,5,6,7-tetrahydro-2H-inden-5-ol

(1E,5R,7aS)-1-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-7a-methyl-3,5,6,7-tetrahydro-2H-inden-5-ol (PubChem CID 71475274) has the molecular formula C18H32O2Si and a molecular weight of 308.54 g/mol. Its IUPAC name is (1E,5R,7aS)-1-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-7a-methyl-3,5,6,7-tetrahydro-2H-inden-5-ol.

Molecular Properties

Compound Name(1E,5R,7aS)-1-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-7a-methyl-3,5,6,7-tetrahydro-2H-inden-5-ol
PubChem CID71475274
Molecular FormulaC18H32O2Si
Molecular Weight308.54 g/mol
Exact Mass308.22
IUPAC Name(1E,5R,7aS)-1-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-7a-methyl-3,5,6,7-tetrahydro-2H-inden-5-ol
SMILESCC(C)(C)[Si](C)(C)OC/C=C1\CCC2=C[C@H](O)CC[C@]21C
InChIInChI=1S/C18H32O2Si/c1-17(2,3)21(5,6)20-12-10-14-7-8-15-13-16(19)9-11-18(14,15)4/h10,13,16,19H,7-9,11-12H2,1-6H3/b14-10+/t16-,18+/m1/s1
InChIKeyZQRZEPJGSUTTKQ-NQKFPNJCSA-N
XLogP4.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.54
LogP ≤ 54.82
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

3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclohex-2-en-1-yl]propan-1-ol
CID 12132314
(1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol
CID 14447627
3-[(1E,3E,5Z,7E)-9-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnona-1,3,5,7-tetraenyl]-2,4,4-trimethylcyclohex-2-en-1-ol
CID 15489656
(5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-9-[(1R,2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-methylcyclopentyl]-2,6-dimethylnona-2,6-dien-5-ol
CID 91225739
4-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-ol
CID 134835026
[(3aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3-methylidene-2,4,5,6-tetrahydro-1H-inden-5-yl]oxy-tert-butyl-dimethylsilane
CID 134983644
(1S,5R,7aS)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-7a-methyl-1-propan-2-yl-1,2,3,5,6,7-hexahydroinden-5-ol
CID 162414441
(Z,1S)-1-[(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]but-2-en-1-ol
CID 164671236
(E,1R)-1-[(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]but-2-en-1-ol
CID 164671237
2-Buten-1-ol, 4-(2-(((1,1-dimethylethyl)dimethylsilyl)oxy)cyclohexyl)-3-methyl-, (1alpha(E),2beta)-
CID 6442719
2-Buten-1-ol, 4-(2-(((1,1-dimethylethyl)dimethylsilyl)oxy)cyclohexyl)-2-methyl-, (1alpha(E),2beta)-
CID 6442725
Bicyclo[6.3.0]undeca-1(8),2-dien-7-ol, 5,5-dimethyl-3-(t-butyldimethylsilyloxy)-
CID 5377689

Frequently Asked Questions

What is the IUPAC name of (1E,5R,7aS)-1-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-7a-methyl-3,5,6,7-tetrahydro-2H-inden-5-ol?
The IUPAC name of (1E,5R,7aS)-1-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-7a-methyl-3,5,6,7-tetrahydro-2H-inden-5-ol (CID 71475274) is (1E,5R,7aS)-1-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-7a-methyl-3,5,6,7-tetrahydro-2H-inden-5-ol.
What is the SMILES notation for (1E,5R,7aS)-1-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-7a-methyl-3,5,6,7-tetrahydro-2H-inden-5-ol?
The canonical SMILES for (1E,5R,7aS)-1-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-7a-methyl-3,5,6,7-tetrahydro-2H-inden-5-ol is CC(C)(C)[Si](C)(C)OC/C=C1\CCC2=C[C@H](O)CC[C@]21C.
What is the InChIKey of (1E,5R,7aS)-1-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-7a-methyl-3,5,6,7-tetrahydro-2H-inden-5-ol?
The InChIKey is ZQRZEPJGSUTTKQ-NQKFPNJCSA-N. The full InChI is InChI=1S/C18H32O2Si/c1-17(2,3)21(5,6)20-12-10-14-7-8-15-13-16(19)9-11-18(14,15)4/h10,13,16,19H,7-9,11-12H2,1-6H3/b14-10+/t16-,18+/m1/s1.
What are the key properties of (1E,5R,7aS)-1-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-7a-methyl-3,5,6,7-tetrahydro-2H-inden-5-ol?
(1E,5R,7aS)-1-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-7a-methyl-3,5,6,7-tetrahydro-2H-inden-5-ol has a molecular weight of 308.54 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,5R,7aS)-1-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-7a-methyl-3,5,6,7-tetrahydro-2H-inden-5-ol is sourced from PubChem (CID 71475274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).