1-cyclohexyl-3-ethylpentan-2-one

C13H24O — CID 114967631

IUPAC1-cyclohexyl-3-ethylpentan-2-one
SMILESCCC(CC)C(=O)CC1CCCCC1
InChIInChI=1S/C13H24O/c1-3-12(4-2)13(14)10-11-8-6-5-7-9-11/h11-12H,3-10H2,1-2H3
InChIKeyHWQFMUAPNSELBW-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.96
Rot. Bonds5

About 1-cyclohexyl-3-ethylpentan-2-one

1-cyclohexyl-3-ethylpentan-2-one (PubChem CID 114967631) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 1-cyclohexyl-3-ethylpentan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3-ethylpentan-2-one
PubChem CID114967631
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name1-cyclohexyl-3-ethylpentan-2-one
SMILESCCC(CC)C(=O)CC1CCCCC1
InChIInChI=1S/C13H24O/c1-3-12(4-2)13(14)10-11-8-6-5-7-9-11/h11-12H,3-10H2,1-2H3
InChIKeyHWQFMUAPNSELBW-UHFFFAOYSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(aminomethyl)-1-cyclohexylpentan-2-one
CID 116575171
1-cyclopentyl-3-hydroxypentan-2-one
CID 103452923
1-cyclopentyl-3-hydroxybutan-2-one
CID 103451317
(3R)-3-amino-1-cyclohexyl-4-methylpentan-2-one
CID 58418389
3-ethyl-1-(oxan-4-yl)hexan-2-one
CID 123425617
1-cyclohexadecylpropan-2-one
CID 175123721
1-cyclohexyl-4-methyl-3-phenylhexan-2-one
CID 114967641
cyclohexylmethyl 2-(aminomethyl)butanoate
CID 65218100
4-cyclopentyl-2-methyl-3-oxobutanenitrile
CID 60758153
2-[(2-cycloheptylacetyl)amino]butanoic acid
CID 115909894
1-cyclohexyl-3-methylbutan-2-one;thiophene
CID 174439786
3-cyclopentyl-1-cyclopropyl-1-methoxypropan-2-one
CID 116709029

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-ethylpentan-2-one?
The IUPAC name of 1-cyclohexyl-3-ethylpentan-2-one (CID 114967631) is 1-cyclohexyl-3-ethylpentan-2-one.
What is the SMILES notation for 1-cyclohexyl-3-ethylpentan-2-one?
The canonical SMILES for 1-cyclohexyl-3-ethylpentan-2-one is CCC(CC)C(=O)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-ethylpentan-2-one?
The InChIKey is HWQFMUAPNSELBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-3-12(4-2)13(14)10-11-8-6-5-7-9-11/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-ethylpentan-2-one?
1-cyclohexyl-3-ethylpentan-2-one has a molecular weight of 196.33 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-ethylpentan-2-one is sourced from PubChem (CID 114967631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).