1-(4-butylcyclohexyl)-2-methoxyethanone

C13H24O2 — CID 115783287

IUPAC1-(4-butylcyclohexyl)-2-methoxyethanone
SMILESCCCCC1CCC(C(=O)COC)CC1
InChIInChI=1S/C13H24O2/c1-3-4-5-11-6-8-12(9-7-11)13(14)10-15-2/h11-12H,3-10H2,1-2H3
InChIKeyGSSLZPNFEGQOIY-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.20
Rot. Bonds6

About 1-(4-butylcyclohexyl)-2-methoxyethanone

1-(4-butylcyclohexyl)-2-methoxyethanone (PubChem CID 115783287) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-2-methoxyethanone
PubChem CID115783287
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name1-(4-butylcyclohexyl)-2-methoxyethanone
SMILESCCCCC1CCC(C(=O)COC)CC1
InChIInChI=1S/C13H24O2/c1-3-4-5-11-6-8-12(9-7-11)13(14)10-15-2/h11-12H,3-10H2,1-2H3
InChIKeyGSSLZPNFEGQOIY-UHFFFAOYSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-butylcyclohexyl)-2-methoxyethanone 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

1-(4-butylcyclohexyl)-2-cyclopentylethanone
CID 114969263
4-butyl-N-methoxy-N-methylcyclohexane-1-carboxamide
CID 60644673
1-(4-propylcyclohexyl)decan-1-one
CID 65424252
propan-2-yl 4-butylcyclohexane-1-carboxylate
CID 60643355
(3Z,5Z)-1-(4-butylcyclohexyl)octa-3,5-dien-1-one
CID 168962516
1-(4-pentylcyclohexyl)ethanone
CID 13278013
4-butylcyclohexane-1-carbohydrazide
CID 2063620
4-pentylcyclohexane-1-carboxylate
CID 6993970
[4-(4-butylcyclohexanecarbonyl)oxyphenyl] 4-butylcyclohexane-1-carboxylate
CID 3093754
prop-2-enyl 4-butylcyclohexane-1-carboxylate
CID 139948297
1-butyl-4-[(Z)-3-(4-propylcyclohexyl)but-2-en-2-yl]cyclohexane
CID 173321261
1-(3-butylcyclobutyl)propan-1-one
CID 118975148

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-2-methoxyethanone?
The IUPAC name of 1-(4-butylcyclohexyl)-2-methoxyethanone (CID 115783287) is 1-(4-butylcyclohexyl)-2-methoxyethanone.
What is the SMILES notation for 1-(4-butylcyclohexyl)-2-methoxyethanone?
The canonical SMILES for 1-(4-butylcyclohexyl)-2-methoxyethanone is CCCCC1CCC(C(=O)COC)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-2-methoxyethanone?
The InChIKey is GSSLZPNFEGQOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-3-4-5-11-6-8-12(9-7-11)13(14)10-15-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-(4-butylcyclohexyl)-2-methoxyethanone?
1-(4-butylcyclohexyl)-2-methoxyethanone has a molecular weight of 212.33 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-2-methoxyethanone is sourced from PubChem (CID 115783287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).