[(1S,3R)-3-ethylcyclohexyl]methanol

C9H18O — CID 14940078

IUPAC[(1S,3R)-3-ethylcyclohexyl]methanol
SMILESCC[C@@H]1CCC[C@H](CO)C1
InChIInChI=1S/C9H18O/c1-2-8-4-3-5-9(6-8)7-10/h8-10H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeyOBCVXHDACNJTJR-BDAKNGLRSA-N
MW142.24 g/mol
LogP2.20
Rot. Bonds2

About [(1S,3R)-3-ethylcyclohexyl]methanol

[(1S,3R)-3-ethylcyclohexyl]methanol (PubChem CID 14940078) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is [(1S,3R)-3-ethylcyclohexyl]methanol.

Molecular Properties

Compound Name[(1S,3R)-3-ethylcyclohexyl]methanol
PubChem CID14940078
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name[(1S,3R)-3-ethylcyclohexyl]methanol
SMILESCC[C@@H]1CCC[C@H](CO)C1
InChIInChI=1S/C9H18O/c1-2-8-4-3-5-9(6-8)7-10/h8-10H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeyOBCVXHDACNJTJR-BDAKNGLRSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R,3R)-3-ethylcyclopentyl]methanol
CID 14940085
cyclobutylmethanol;ethanol
CID 68532840
butane-1,1-diol;[3-(hydroxymethyl)cyclohexyl]methanol
CID 67345161
[(1S)-3-methylcyclohexyl]methanol
CID 89207619
1-ethyl-3-propylcyclohexane
CID 22129036
[(1R,3R)-3-(aminomethyl)cyclohexyl]methanol
CID 124563459
1,3-diethylcyclopentane
CID 530396
[(1S,3R)-3-(aminomethyl)cyclohexyl]methanol;hydrochloride
CID 134690925
1-(2-cyclobutylethyl)-3-ethylcyclobutane
CID 123886657
[(3S)-3-aminocyclohexyl]methanol
CID 131334541
trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235
1-(3-ethylcyclohexyl)butan-2-ol
CID 79424228

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-ethylcyclohexyl]methanol?
The IUPAC name of [(1S,3R)-3-ethylcyclohexyl]methanol (CID 14940078) is [(1S,3R)-3-ethylcyclohexyl]methanol.
What is the SMILES notation for [(1S,3R)-3-ethylcyclohexyl]methanol?
The canonical SMILES for [(1S,3R)-3-ethylcyclohexyl]methanol is CC[C@@H]1CCC[C@H](CO)C1.
What is the InChIKey of [(1S,3R)-3-ethylcyclohexyl]methanol?
The InChIKey is OBCVXHDACNJTJR-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H18O/c1-2-8-4-3-5-9(6-8)7-10/h8-10H,2-7H2,1H3/t8-,9+/m1/s1.
What are the key properties of [(1S,3R)-3-ethylcyclohexyl]methanol?
[(1S,3R)-3-ethylcyclohexyl]methanol has a molecular weight of 142.24 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-ethylcyclohexyl]methanol is sourced from PubChem (CID 14940078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).