1-(2-ethylcyclohexyl)-2-hydroxypentan-1-one

C13H24O2 — CID 103454049

IUPAC1-(2-ethylcyclohexyl)-2-hydroxypentan-1-one
SMILESCCCC(O)C(=O)C1CCCCC1CC
InChIInChI=1S/C13H24O2/c1-3-7-12(14)13(15)11-9-6-5-8-10(11)4-2/h10-12,14H,3-9H2,1-2H3
InChIKeyWJSVJOOIBREGOW-UHFFFAOYSA-N
MW212.33 g/mol
LogP2.93
Rot. Bonds5

About 1-(2-ethylcyclohexyl)-2-hydroxypentan-1-one

1-(2-ethylcyclohexyl)-2-hydroxypentan-1-one (PubChem CID 103454049) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)-2-hydroxypentan-1-one.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)-2-hydroxypentan-1-one
PubChem CID103454049
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name1-(2-ethylcyclohexyl)-2-hydroxypentan-1-one
SMILESCCCC(O)C(=O)C1CCCCC1CC
InChIInChI=1S/C13H24O2/c1-3-7-12(14)13(15)11-9-6-5-8-10(11)4-2/h10-12,14H,3-9H2,1-2H3
InChIKeyWJSVJOOIBREGOW-UHFFFAOYSA-N
XLogP2.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-(2-ethylcyclohexyl)-3-methylbutan-1-one
CID 116708607
1-(2-ethylcyclohexyl)-2-methylpentan-1-ol
CID 63899778
(2S)-2-ethylcyclopentane-1-carboxylic acid
CID 59114270
1-(2-ethylcyclohexyl)-2-phenylpropan-1-one
CID 114029031
carbonic acid;1,2-diethylcyclohexane
CID 70579518
1-(2-ethylcyclohexyl)-2-methylprop-2-en-1-one
CID 58325604
3-cyclopentyl-1-(2-ethylcyclohexyl)propan-1-one
CID 114973791
2-hydroxy-1-(oxan-3-yl)pentan-1-one
CID 107136058
2-amino-2-cyclopropyl-1-(2-ethylcyclohexyl)propan-1-one
CID 116558390
cis-ethyl (1R,2R)-2-ethylcyclopentane-1-carboxylate
CID 101471525
2-cyclohexylidene-1-(2-ethylcyclohexyl)ethanone
CID 103457998
7-amino-1-(2-ethylcyclohexyl)heptan-1-one
CID 116551389

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)-2-hydroxypentan-1-one?
The IUPAC name of 1-(2-ethylcyclohexyl)-2-hydroxypentan-1-one (CID 103454049) is 1-(2-ethylcyclohexyl)-2-hydroxypentan-1-one.
What is the SMILES notation for 1-(2-ethylcyclohexyl)-2-hydroxypentan-1-one?
The canonical SMILES for 1-(2-ethylcyclohexyl)-2-hydroxypentan-1-one is CCCC(O)C(=O)C1CCCCC1CC.
What is the InChIKey of 1-(2-ethylcyclohexyl)-2-hydroxypentan-1-one?
The InChIKey is WJSVJOOIBREGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-3-7-12(14)13(15)11-9-6-5-8-10(11)4-2/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 1-(2-ethylcyclohexyl)-2-hydroxypentan-1-one?
1-(2-ethylcyclohexyl)-2-hydroxypentan-1-one has a molecular weight of 212.33 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)-2-hydroxypentan-1-one is sourced from PubChem (CID 103454049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).