(2S,3S)-2-cyclohexyl-3-trimethylsilylheptan-3-ol

C16H34OSi — CID 134901155

IUPAC(2S,3S)-2-cyclohexyl-3-trimethylsilylheptan-3-ol
SMILESCCCC[C@@](O)([C@@H](C)C1CCCCC1)[Si](C)(C)C
InChIInChI=1S/C16H34OSi/c1-6-7-13-16(17,18(3,4)5)14(2)15-11-9-8-10-12-15/h14-15,17H,6-13H2,1-5H3/t14-,16-/m0/s1
InChIKeyLUJVVOFEAIXSRW-HOCLYGCPSA-N
MW270.53 g/mol
LogP5.00
Rot. Bonds6

About (2S,3S)-2-cyclohexyl-3-trimethylsilylheptan-3-ol

(2S,3S)-2-cyclohexyl-3-trimethylsilylheptan-3-ol (PubChem CID 134901155) has the molecular formula C16H34OSi and a molecular weight of 270.53 g/mol. Its IUPAC name is (2S,3S)-2-cyclohexyl-3-trimethylsilylheptan-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-cyclohexyl-3-trimethylsilylheptan-3-ol
PubChem CID134901155
Molecular FormulaC16H34OSi
Molecular Weight270.53 g/mol
Exact Mass270.24
IUPAC Name(2S,3S)-2-cyclohexyl-3-trimethylsilylheptan-3-ol
SMILESCCCC[C@@](O)([C@@H](C)C1CCCCC1)[Si](C)(C)C
InChIInChI=1S/C16H34OSi/c1-6-7-13-16(17,18(3,4)5)14(2)15-11-9-8-10-12-15/h14-15,17H,6-13H2,1-5H3/t14-,16-/m0/s1
InChIKeyLUJVVOFEAIXSRW-HOCLYGCPSA-N
XLogP5.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.53
LogP ≤ 55.00
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

cis-(1R,2R)-2-methyl-1-trimethylsilylcyclohexan-1-ol
CID 13024088
(2S,3R)-2-cyclohexyl-3-trimethylsilylheptan-3-ol
CID 14087111
trans-(1R,2S)-1-cyclohexyl-2-trimethylsilylcyclopropan-1-ol
CID 15448296
6-(2-Trimethylsilylethyl)undecan-6-ol
CID 15786604
1-[[2,3-Dimethylbutan-2-yl(dimethyl)silyl]methyl]cyclohexan-1-ol
CID 134986664
2-[(1S,2R)-2-[butyl(dimethyl)silyl]cyclohexyl]propan-2-ol
CID 154711087
2-[(1S,2R)-2-trimethylsilylcyclohexyl]propan-2-ol
CID 154723356
2-Cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-2-ol
CID 164669382
4-tert-Butyl-1-[1-(trimethylsilyl)propyl]cyclohexan-1-ol
CID 13280432
1-Cyclohexyl-2-trimethylsilylcyclopropan-1-ol
CID 15448297
4-[3-[Hexyl(dimethyl)silyl]propyl]cyclohexan-1-ol
CID 20479597
2-Methyl-1-(4-trimethylsilylcyclohexyl)propan-2-ol
CID 57021280

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-cyclohexyl-3-trimethylsilylheptan-3-ol?
The IUPAC name of (2S,3S)-2-cyclohexyl-3-trimethylsilylheptan-3-ol (CID 134901155) is (2S,3S)-2-cyclohexyl-3-trimethylsilylheptan-3-ol.
What is the SMILES notation for (2S,3S)-2-cyclohexyl-3-trimethylsilylheptan-3-ol?
The canonical SMILES for (2S,3S)-2-cyclohexyl-3-trimethylsilylheptan-3-ol is CCCC[C@@](O)([C@@H](C)C1CCCCC1)[Si](C)(C)C.
What is the InChIKey of (2S,3S)-2-cyclohexyl-3-trimethylsilylheptan-3-ol?
The InChIKey is LUJVVOFEAIXSRW-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H34OSi/c1-6-7-13-16(17,18(3,4)5)14(2)15-11-9-8-10-12-15/h14-15,17H,6-13H2,1-5H3/t14-,16-/m0/s1.
What are the key properties of (2S,3S)-2-cyclohexyl-3-trimethylsilylheptan-3-ol?
(2S,3S)-2-cyclohexyl-3-trimethylsilylheptan-3-ol has a molecular weight of 270.53 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-cyclohexyl-3-trimethylsilylheptan-3-ol is sourced from PubChem (CID 134901155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).