[(1S,2R,4S)-1,2,4-trimethylcyclohexyl]methanol

C10H20O — CID 7061819

IUPAC[(1S,2R,4S)-1,2,4-trimethylcyclohexyl]methanol
SMILESC[C@H]1CC[C@](C)(CO)[C@H](C)C1
InChIInChI=1S/C10H20O/c1-8-4-5-10(3,7-11)9(2)6-8/h8-9,11H,4-7H2,1-3H3/t8-,9+,10+/m0/s1
InChIKeyREGYHIGUVRNVAW-IVZWLZJFSA-N
MW156.27 g/mol
LogP2.44
Rot. Bonds1

About [(1S,2R,4S)-1,2,4-trimethylcyclohexyl]methanol

[(1S,2R,4S)-1,2,4-trimethylcyclohexyl]methanol (PubChem CID 7061819) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is [(1S,2R,4S)-1,2,4-trimethylcyclohexyl]methanol.

Molecular Properties

Compound Name[(1S,2R,4S)-1,2,4-trimethylcyclohexyl]methanol
PubChem CID7061819
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name[(1S,2R,4S)-1,2,4-trimethylcyclohexyl]methanol
SMILESC[C@H]1CC[C@](C)(CO)[C@H](C)C1
InChIInChI=1S/C10H20O/c1-8-4-5-10(3,7-11)9(2)6-8/h8-9,11H,4-7H2,1-3H3/t8-,9+,10+/m0/s1
InChIKeyREGYHIGUVRNVAW-IVZWLZJFSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S,2S,4R)-1,2,4-trimethylcyclohexyl]methanamine
CID 125452405
(1,2-dimethylcyclopentyl)methanol
CID 544196
[(1S,2R)-1,2-dimethylcyclopentyl]methanol
CID 167089966
cis-(2R,4S)-1,1,2,4-tetramethylcyclohexane;ethene
CID 177145950
2,4-dimethyl-1-propylcyclohexan-1-ol
CID 64756023
[1-(hydroxymethyl)-4-methyl-2-phenylcyclohexyl]methanol
CID 139793925
1-(aminomethyl)-2,4-dimethylcyclohexan-1-amine
CID 64761739
2-(1-hydroxy-2,4-dimethylcyclohexyl)acetonitrile
CID 79118602
2,4-dimethyl-1-prop-2-ynylcyclohexan-1-ol
CID 64755610
2-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclohexan-1-ol
CID 130150641
[(1R,3R)-1,2,2,3-tetramethylcyclopentyl]methanol
CID 7054243
(1S,2R,4R)-2,4-dimethyl-1-phenylcyclohexan-1-ol
CID 124508976

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,4S)-1,2,4-trimethylcyclohexyl]methanol?
The IUPAC name of [(1S,2R,4S)-1,2,4-trimethylcyclohexyl]methanol (CID 7061819) is [(1S,2R,4S)-1,2,4-trimethylcyclohexyl]methanol.
What is the SMILES notation for [(1S,2R,4S)-1,2,4-trimethylcyclohexyl]methanol?
The canonical SMILES for [(1S,2R,4S)-1,2,4-trimethylcyclohexyl]methanol is C[C@H]1CC[C@](C)(CO)[C@H](C)C1.
What is the InChIKey of [(1S,2R,4S)-1,2,4-trimethylcyclohexyl]methanol?
The InChIKey is REGYHIGUVRNVAW-IVZWLZJFSA-N. The full InChI is InChI=1S/C10H20O/c1-8-4-5-10(3,7-11)9(2)6-8/h8-9,11H,4-7H2,1-3H3/t8-,9+,10+/m0/s1.
What are the key properties of [(1S,2R,4S)-1,2,4-trimethylcyclohexyl]methanol?
[(1S,2R,4S)-1,2,4-trimethylcyclohexyl]methanol has a molecular weight of 156.27 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,4S)-1,2,4-trimethylcyclohexyl]methanol is sourced from PubChem (CID 7061819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).