4-methyl-1-[(3R)-3-methylcyclohexyl]pentan-1-ol

C13H26O — CID 142020091

IUPAC4-methyl-1-[(3R)-3-methylcyclohexyl]pentan-1-ol
SMILESCC(C)CCC(O)C1CCC[C@@H](C)C1
InChIInChI=1S/C13H26O/c1-10(2)7-8-13(14)12-6-4-5-11(3)9-12/h10-14H,4-9H2,1-3H3/t11-,12?,13?/m1/s1
InChIKeyJZGRVNPQPGMGIF-PNESKVBLSA-N
MW198.35 g/mol
LogP3.61
Rot. Bonds4

About 4-methyl-1-[(3R)-3-methylcyclohexyl]pentan-1-ol

4-methyl-1-[(3R)-3-methylcyclohexyl]pentan-1-ol (PubChem CID 142020091) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 4-methyl-1-[(3R)-3-methylcyclohexyl]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[(3R)-3-methylcyclohexyl]pentan-1-ol
PubChem CID142020091
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name4-methyl-1-[(3R)-3-methylcyclohexyl]pentan-1-ol
SMILESCC(C)CCC(O)C1CCC[C@@H](C)C1
InChIInChI=1S/C13H26O/c1-10(2)7-8-13(14)12-6-4-5-11(3)9-12/h10-14H,4-9H2,1-3H3/t11-,12?,13?/m1/s1
InChIKeyJZGRVNPQPGMGIF-PNESKVBLSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-1-(3-methylcyclopentyl)hexan-1-ol
CID 83161755
4-methoxy-1-(3-methylcyclohexyl)butan-1-ol
CID 62606188
(2S)-2-[(1S,3R)-3-methylcyclohexyl]propanoic acid
CID 178159874
(3R)-1-methyl-3-propan-2-ylcyclohexane
CID 154523132
2-(3-methylcyclohexyl)pentan-3-ol
CID 79436238
3-(furan-2-yl)-1-(3-methylcyclohexyl)propan-1-ol
CID 105104266
1-(3-methylcyclohexyl)-4-phenoxybutan-1-ol
CID 55155150
1-(3-methylcyclohexyl)butane-1,2-diol
CID 103454489
1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 103216871
3-methyl-N-(5-methylhexan-2-yl)cyclohexan-1-amine
CID 43079319
4-amino-3-(3-methylcyclohexyl)pentan-1-ol
CID 66090063
(1S)-1-[(1S,3S)-3-methylcyclohexyl]ethanamine
CID 124508943

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(3R)-3-methylcyclohexyl]pentan-1-ol?
The IUPAC name of 4-methyl-1-[(3R)-3-methylcyclohexyl]pentan-1-ol (CID 142020091) is 4-methyl-1-[(3R)-3-methylcyclohexyl]pentan-1-ol.
What is the SMILES notation for 4-methyl-1-[(3R)-3-methylcyclohexyl]pentan-1-ol?
The canonical SMILES for 4-methyl-1-[(3R)-3-methylcyclohexyl]pentan-1-ol is CC(C)CCC(O)C1CCC[C@@H](C)C1.
What is the InChIKey of 4-methyl-1-[(3R)-3-methylcyclohexyl]pentan-1-ol?
The InChIKey is JZGRVNPQPGMGIF-PNESKVBLSA-N. The full InChI is InChI=1S/C13H26O/c1-10(2)7-8-13(14)12-6-4-5-11(3)9-12/h10-14H,4-9H2,1-3H3/t11-,12?,13?/m1/s1.
What are the key properties of 4-methyl-1-[(3R)-3-methylcyclohexyl]pentan-1-ol?
4-methyl-1-[(3R)-3-methylcyclohexyl]pentan-1-ol has a molecular weight of 198.35 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(3R)-3-methylcyclohexyl]pentan-1-ol is sourced from PubChem (CID 142020091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).