1-(4-ethylcyclohexyl)-3-methylbutan-1-one

C13H24O — CID 64773765

IUPAC1-(4-ethylcyclohexyl)-3-methylbutan-1-one
SMILESCCC1CCC(C(=O)CC(C)C)CC1
InChIInChI=1S/C13H24O/c1-4-11-5-7-12(8-6-11)13(14)9-10(2)3/h10-12H,4-9H2,1-3H3
InChIKeyIWUAZAVIVMJCSJ-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.82
Rot. Bonds4

About 1-(4-ethylcyclohexyl)-3-methylbutan-1-one

1-(4-ethylcyclohexyl)-3-methylbutan-1-one (PubChem CID 64773765) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-3-methylbutan-1-one
PubChem CID64773765
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name1-(4-ethylcyclohexyl)-3-methylbutan-1-one
SMILESCCC1CCC(C(=O)CC(C)C)CC1
InChIInChI=1S/C13H24O/c1-4-11-5-7-12(8-6-11)13(14)9-10(2)3/h10-12H,4-9H2,1-3H3
InChIKeyIWUAZAVIVMJCSJ-UHFFFAOYSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-3-cyclopropyl-1-(4-ethylcyclohexyl)propan-1-one
CID 116608822
1-cyclohexyl-3-methylbutan-1-one
CID 4144247
2-bromo-1-(4-ethylcyclohexyl)ethanone
CID 130606092
1-(4,4-difluorocyclohexyl)-3-methylbutan-1-one
CID 105077543
3-methyl-1-(thian-4-yl)butan-1-one
CID 82405633
3-methyl-1-(oxan-4-yl)butan-1-one
CID 63935044
4-(3-methylbutanoyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 58038974
1-(4-ethylcyclohexyl)-2-methylsulfanylethanone
CID 64775004
cyclopropanecarboxylic acid;ethylcyclopropane
CID 70624610
4-ethylcyclohexane-1-carboxylic acid;hydrochloride
CID 67721587
1-(4-aminocyclohexyl)-3-methylpentan-1-one
CID 116557256
1-(4-ethylcyclohexyl)-2-piperidin-4-ylethanone
CID 116559958

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-3-methylbutan-1-one?
The IUPAC name of 1-(4-ethylcyclohexyl)-3-methylbutan-1-one (CID 64773765) is 1-(4-ethylcyclohexyl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-3-methylbutan-1-one?
The canonical SMILES for 1-(4-ethylcyclohexyl)-3-methylbutan-1-one is CCC1CCC(C(=O)CC(C)C)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-3-methylbutan-1-one?
The InChIKey is IWUAZAVIVMJCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-4-11-5-7-12(8-6-11)13(14)9-10(2)3/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-(4-ethylcyclohexyl)-3-methylbutan-1-one?
1-(4-ethylcyclohexyl)-3-methylbutan-1-one has a molecular weight of 196.33 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-3-methylbutan-1-one is sourced from PubChem (CID 64773765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).