(1R)-1-(4,4-dimethylcyclohexyl)-5,5-dimethylhexan-1-ol

C16H32O — CID 177218986

IUPAC(1R)-1-(4,4-dimethylcyclohexyl)-5,5-dimethylhexan-1-ol
SMILESCC(C)(C)CCC[C@@H](O)C1CCC(C)(C)CC1
InChIInChI=1S/C16H32O/c1-15(2,3)10-6-7-14(17)13-8-11-16(4,5)12-9-13/h13-14,17H,6-12H2,1-5H3/t14-/m1/s1
InChIKeyJLXFHHLNQANLAT-CQSZACIVSA-N
MW240.43 g/mol
LogP4.78
Rot. Bonds4

About (1R)-1-(4,4-dimethylcyclohexyl)-5,5-dimethylhexan-1-ol

(1R)-1-(4,4-dimethylcyclohexyl)-5,5-dimethylhexan-1-ol (PubChem CID 177218986) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is (1R)-1-(4,4-dimethylcyclohexyl)-5,5-dimethylhexan-1-ol.

Molecular Properties

Compound Name(1R)-1-(4,4-dimethylcyclohexyl)-5,5-dimethylhexan-1-ol
PubChem CID177218986
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name(1R)-1-(4,4-dimethylcyclohexyl)-5,5-dimethylhexan-1-ol
SMILESCC(C)(C)CCC[C@@H](O)C1CCC(C)(C)CC1
InChIInChI=1S/C16H32O/c1-15(2,3)10-6-7-14(17)13-8-11-16(4,5)12-9-13/h13-14,17H,6-12H2,1-5H3/t14-/m1/s1
InChIKeyJLXFHHLNQANLAT-CQSZACIVSA-N
XLogP4.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-4,4-dimethylpentan-1-ol
CID 62606898
1-(4-ethylcyclohexyl)-4,4-dimethylpentan-1-ol
CID 65394345
1-cyclopropylpentan-1-ol
CID 551238
5,5,5-trifluoro-1-(4-propan-2-ylcyclohexyl)pentan-1-ol
CID 113326892
1-(4,4-dimethylcyclohexyl)pent-3-yn-1-ol
CID 65391400
1-cyclobutyl-5,5,5-trifluoropentan-1-ol
CID 115515676
1-piperidin-4-ylpentan-1-ol
CID 19599407
(1R)-1-[(1S)-3,3-dimethylcyclopentyl]propan-1-ol;sulfane
CID 159744977
1-cyclopropyltetradecan-1-ol
CID 63461268
1-cyclopropylheptan-1-ol
CID 10909821
1-cyclopropyltridecan-1-ol
CID 63410999
1-(4,4-difluorocyclohexyl)-4-methylpent-4-en-1-ol
CID 105127383

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4,4-dimethylcyclohexyl)-5,5-dimethylhexan-1-ol?
The IUPAC name of (1R)-1-(4,4-dimethylcyclohexyl)-5,5-dimethylhexan-1-ol (CID 177218986) is (1R)-1-(4,4-dimethylcyclohexyl)-5,5-dimethylhexan-1-ol.
What is the SMILES notation for (1R)-1-(4,4-dimethylcyclohexyl)-5,5-dimethylhexan-1-ol?
The canonical SMILES for (1R)-1-(4,4-dimethylcyclohexyl)-5,5-dimethylhexan-1-ol is CC(C)(C)CCC[C@@H](O)C1CCC(C)(C)CC1.
What is the InChIKey of (1R)-1-(4,4-dimethylcyclohexyl)-5,5-dimethylhexan-1-ol?
The InChIKey is JLXFHHLNQANLAT-CQSZACIVSA-N. The full InChI is InChI=1S/C16H32O/c1-15(2,3)10-6-7-14(17)13-8-11-16(4,5)12-9-13/h13-14,17H,6-12H2,1-5H3/t14-/m1/s1.
What are the key properties of (1R)-1-(4,4-dimethylcyclohexyl)-5,5-dimethylhexan-1-ol?
(1R)-1-(4,4-dimethylcyclohexyl)-5,5-dimethylhexan-1-ol has a molecular weight of 240.43 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4,4-dimethylcyclohexyl)-5,5-dimethylhexan-1-ol is sourced from PubChem (CID 177218986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).