3-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol

C16H32OSi — CID 134980037

IUPAC3-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol
SMILESCC(C)(C)[C@@H]1C=C[C@H](CCCO)C([Si](C)(C)C)C1
InChIInChI=1S/C16H32OSi/c1-16(2,3)14-10-9-13(8-7-11-17)15(12-14)18(4,5)6/h9-10,13-15,17H,7-8,11-12H2,1-6H3/t13-,14+,15?/m0/s1
InChIKeyQNKDWEZOHWDBHY-SNTRVMSOSA-N
MW268.52 g/mol
LogP4.71
Rot. Bonds4

About 3-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol

3-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol (PubChem CID 134980037) has the molecular formula C16H32OSi and a molecular weight of 268.52 g/mol. Its IUPAC name is 3-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol
PubChem CID134980037
Molecular FormulaC16H32OSi
Molecular Weight268.52 g/mol
Exact Mass268.22
IUPAC Name3-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol
SMILESCC(C)(C)[C@@H]1C=C[C@H](CCCO)C([Si](C)(C)C)C1
InChIInChI=1S/C16H32OSi/c1-16(2,3)14-10-9-13(8-7-11-17)15(12-14)18(4,5)6/h9-10,13-15,17H,7-8,11-12H2,1-6H3/t13-,14+,15?/m0/s1
InChIKeyQNKDWEZOHWDBHY-SNTRVMSOSA-N
XLogP4.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.52
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nonan-1-ol
CID 52948707
3,7-Dimethyl-9-(2,6,6-trimethylcyclohexa-1,4-dien-1-yl)nonan-1-ol
CID 446799
(E,3S)-3,7-dimethyl-9-[(1S)-2,2,6-trimethylcyclohexyl]non-8-en-1-ol
CID 448059
(E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-8-en-1-ol
CID 86306044
3-(6-Trimethylsilylcyclohex-2-en-1-yl)propan-1-ol
CID 10420734
3-[(1R,4aR,5S,6S)-1,5,6-trimethyl-5-[2-tri(propan-2-yl)silyloxyethyl]-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]propan-1-ol
CID 10717812
Tert-butyl-(8-cyclohex-3-en-1-yloctoxy)-dimethylsilane
CID 11313354
3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclohex-2-en-1-yl]propan-1-ol
CID 12132314
(1S)-1-[(1R)-1-(2-methylpropyl)cyclohex-2-en-1-yl]nonan-1-ol
CID 15398117
(E,2S)-2-pent-4-enyl-2-(2-trimethylsilylethynyl)oct-6-en-1-ol
CID 53493823
2-(6-Trimethylsilylcyclohex-2-en-1-yl)ethanol
CID 73116563
(5aS,8S)-8-tert-butyl-1,1-dimethyl-4,5,5a,8,9,9a-hexahydro-3H-2,1-benzoxasilepine
CID 134897709

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol?
The IUPAC name of 3-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol (CID 134980037) is 3-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol.
What is the SMILES notation for 3-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol?
The canonical SMILES for 3-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol is CC(C)(C)[C@@H]1C=C[C@H](CCCO)C([Si](C)(C)C)C1.
What is the InChIKey of 3-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol?
The InChIKey is QNKDWEZOHWDBHY-SNTRVMSOSA-N. The full InChI is InChI=1S/C16H32OSi/c1-16(2,3)14-10-9-13(8-7-11-17)15(12-14)18(4,5)6/h9-10,13-15,17H,7-8,11-12H2,1-6H3/t13-,14+,15?/m0/s1.
What are the key properties of 3-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol?
3-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol has a molecular weight of 268.52 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol is sourced from PubChem (CID 134980037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).