2-[(1S,2R)-2-trimethylsilylcyclohexyl]propan-2-ol

C12H26OSi — CID 154723356

IUPAC2-[(1S,2R)-2-trimethylsilylcyclohexyl]propan-2-ol
SMILESCC(C)(O)[C@@H]1CCCC[C@H]1[Si](C)(C)C
InChIInChI=1S/C12H26OSi/c1-12(2,13)10-8-6-7-9-11(10)14(3,4)5/h10-11,13H,6-9H2,1-5H3/t10-,11-/m1/s1
InChIKeyQOKBMUSMFWRPNW-GHMZBOCLSA-N
MW214.42 g/mol
LogP3.66
Rot. Bonds2

About 2-[(1S,2R)-2-trimethylsilylcyclohexyl]propan-2-ol

2-[(1S,2R)-2-trimethylsilylcyclohexyl]propan-2-ol (PubChem CID 154723356) has the molecular formula C12H26OSi and a molecular weight of 214.42 g/mol. Its IUPAC name is 2-[(1S,2R)-2-trimethylsilylcyclohexyl]propan-2-ol.

Molecular Properties

Compound Name2-[(1S,2R)-2-trimethylsilylcyclohexyl]propan-2-ol
PubChem CID154723356
Molecular FormulaC12H26OSi
Molecular Weight214.42 g/mol
Exact Mass214.18
IUPAC Name2-[(1S,2R)-2-trimethylsilylcyclohexyl]propan-2-ol
SMILESCC(C)(O)[C@@H]1CCCC[C@H]1[Si](C)(C)C
InChIInChI=1S/C12H26OSi/c1-12(2,13)10-8-6-7-9-11(10)14(3,4)5/h10-11,13H,6-9H2,1-5H3/t10-,11-/m1/s1
InChIKeyQOKBMUSMFWRPNW-GHMZBOCLSA-N
XLogP3.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Cyclohexyl-2-methyl-2-butanol
CID 14434313
Cyclohexanemethanol, alpha,alpha-dimethyl-
CID 85531
1-Cyclohexyl-2-methyl-2-propanol
CID 138531
Cyclohexanol, 1-(1-methylethyl)
CID 520744
2-Cyclohexyl-hexan-2-ol
CID 568244
Isooctylcyclohexan-1-ol
CID 18459383
3-Cyclohexyl-2-methylbutan-2-ol
CID 20443431
4-Cyclohexyl-2-methylpentan-2-ol
CID 67400066
2-(3-Methylcyclohexyl)propan-2-ol
CID 521859
(2R)-2-cyclohexyl-1,1,1-trifluoro-5-trimethylsilylpent-4-yn-2-ol
CID 134968789
Isopropyl cyclohexyl propanol
CID 60921357
o-Menthan-8-ol
CID 547823

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-2-trimethylsilylcyclohexyl]propan-2-ol?
The IUPAC name of 2-[(1S,2R)-2-trimethylsilylcyclohexyl]propan-2-ol (CID 154723356) is 2-[(1S,2R)-2-trimethylsilylcyclohexyl]propan-2-ol.
What is the SMILES notation for 2-[(1S,2R)-2-trimethylsilylcyclohexyl]propan-2-ol?
The canonical SMILES for 2-[(1S,2R)-2-trimethylsilylcyclohexyl]propan-2-ol is CC(C)(O)[C@@H]1CCCC[C@H]1[Si](C)(C)C.
What is the InChIKey of 2-[(1S,2R)-2-trimethylsilylcyclohexyl]propan-2-ol?
The InChIKey is QOKBMUSMFWRPNW-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H26OSi/c1-12(2,13)10-8-6-7-9-11(10)14(3,4)5/h10-11,13H,6-9H2,1-5H3/t10-,11-/m1/s1.
What are the key properties of 2-[(1S,2R)-2-trimethylsilylcyclohexyl]propan-2-ol?
2-[(1S,2R)-2-trimethylsilylcyclohexyl]propan-2-ol has a molecular weight of 214.42 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-2-trimethylsilylcyclohexyl]propan-2-ol is sourced from PubChem (CID 154723356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).