3-(3-ethylcyclohexyl)-4-methylpentan-2-one

C14H26O — CID 79417882

IUPAC3-(3-ethylcyclohexyl)-4-methylpentan-2-one
SMILESCCC1CCCC(C(C(C)=O)C(C)C)C1
InChIInChI=1S/C14H26O/c1-5-12-7-6-8-13(9-12)14(10(2)3)11(4)15/h10,12-14H,5-9H2,1-4H3
InChIKeyWHVJLDHABSRCRC-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.06
Rot. Bonds4

About 3-(3-ethylcyclohexyl)-4-methylpentan-2-one

3-(3-ethylcyclohexyl)-4-methylpentan-2-one (PubChem CID 79417882) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 3-(3-ethylcyclohexyl)-4-methylpentan-2-one.

Molecular Properties

Compound Name3-(3-ethylcyclohexyl)-4-methylpentan-2-one
PubChem CID79417882
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name3-(3-ethylcyclohexyl)-4-methylpentan-2-one
SMILESCCC1CCCC(C(C(C)=O)C(C)C)C1
InChIInChI=1S/C14H26O/c1-5-12-7-6-8-13(9-12)14(10(2)3)11(4)15/h10,12-14H,5-9H2,1-4H3
InChIKeyWHVJLDHABSRCRC-UHFFFAOYSA-N
XLogP4.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(3-ethylcyclohexyl)-4-methylpentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclobutyl-1-(3-ethylcyclohexyl)ethanol
CID 65457880
1-(3-ethylcyclohexyl)-2,2-difluoroethanol
CID 112699179
1-(3-ethylcyclohexyl)-2-propan-2-yloxyethanone
CID 79566351
1-(3-ethylcyclohexyl)-3-methylbut-3-en-1-ol
CID 79177597
trans-(1S,3S)-1-ethyl-3-propan-2-yloxycyclohexane
CID 177191810
1-(3-ethylcyclohexyl)oxy-3-methylbutan-2-one
CID 79396137
3-(4-hydroxycyclohexyl)-4-methylpentan-2-one
CID 143544217
(2S)-2-amino-3-(3-ethylcyclohexyl)propanoic acid
CID 167126196
2-chloro-1-(3-ethylcyclohexyl)-2,2-difluoroethanol
CID 112575163
(2R)-2-amino-3-(3-ethylcyclohexyl)propanoic acid
CID 167112853
N-ethyl-1-(3-ethylcyclohexyl)-3-methylbut-2-en-1-amine
CID 79180441
(3-ethylcyclohexyl) (2R)-2-aminopropanoate
CID 78967083

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylcyclohexyl)-4-methylpentan-2-one?
The IUPAC name of 3-(3-ethylcyclohexyl)-4-methylpentan-2-one (CID 79417882) is 3-(3-ethylcyclohexyl)-4-methylpentan-2-one.
What is the SMILES notation for 3-(3-ethylcyclohexyl)-4-methylpentan-2-one?
The canonical SMILES for 3-(3-ethylcyclohexyl)-4-methylpentan-2-one is CCC1CCCC(C(C(C)=O)C(C)C)C1.
What is the InChIKey of 3-(3-ethylcyclohexyl)-4-methylpentan-2-one?
The InChIKey is WHVJLDHABSRCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-5-12-7-6-8-13(9-12)14(10(2)3)11(4)15/h10,12-14H,5-9H2,1-4H3.
What are the key properties of 3-(3-ethylcyclohexyl)-4-methylpentan-2-one?
3-(3-ethylcyclohexyl)-4-methylpentan-2-one has a molecular weight of 210.36 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylcyclohexyl)-4-methylpentan-2-one is sourced from PubChem (CID 79417882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).