ethyl 2-(4-methylcyclohexanecarbonyl)pentanoate

C15H26O3 — CID 83049892

IUPACethyl 2-(4-methylcyclohexanecarbonyl)pentanoate
SMILESCCCC(C(=O)OCC)C(=O)C1CCC(C)CC1
InChIInChI=1S/C15H26O3/c1-4-6-13(15(17)18-5-2)14(16)12-9-7-11(3)8-10-12/h11-13H,4-10H2,1-3H3
InChIKeyQXVLYLPSXPRITP-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.36
Rot. Bonds6

About ethyl 2-(4-methylcyclohexanecarbonyl)pentanoate

ethyl 2-(4-methylcyclohexanecarbonyl)pentanoate (PubChem CID 83049892) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is ethyl 2-(4-methylcyclohexanecarbonyl)pentanoate.

Molecular Properties

Compound Nameethyl 2-(4-methylcyclohexanecarbonyl)pentanoate
PubChem CID83049892
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Nameethyl 2-(4-methylcyclohexanecarbonyl)pentanoate
SMILESCCCC(C(=O)OCC)C(=O)C1CCC(C)CC1
InChIInChI=1S/C15H26O3/c1-4-6-13(15(17)18-5-2)14(16)12-9-7-11(3)8-10-12/h11-13H,4-10H2,1-3H3
InChIKeyQXVLYLPSXPRITP-UHFFFAOYSA-N
XLogP3.36
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethyl 2-(4-methylcyclohexanecarbonyl)pentanoate 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

ethyl 2-(cyclopropanecarbonyl)pentanoate
CID 83049474
ethyl 2-(4-ethylcyclohexanecarbonyl)pentanoate
CID 83049003
ethyl 2-(cyclooctanecarbonyl)pentanoate
CID 83043739
ethyl 2-(oxane-4-carbonyl)pentanoate
CID 83048896
ethyl 2-(3-methylcyclopentanecarbonyl)butanoate
CID 65413196
ethyl 2-(2,2-dicyclopropylacetyl)pentanoate
CID 112743767
2-cyclopropyl-2-ethoxy-1-(4-methylcyclohexyl)ethanone
CID 116709436
2-ethoxy-3,3-dimethyl-1-(4-methylcyclohexyl)butan-1-one
CID 116710014
1-O-ethyl 3-O-propyl 2-propylpropanedioate
CID 175366314
ethyl 2-(2-cyclopropyl-2-oxoethyl)-3-oxohexanoate
CID 165473844
ethyl 2-(cyclopropanecarbonyl)-5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenoate
CID 123932322
ethyl 2-(4-methylazepan-1-yl)pentanoate
CID 79002816

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylcyclohexanecarbonyl)pentanoate?
The IUPAC name of ethyl 2-(4-methylcyclohexanecarbonyl)pentanoate (CID 83049892) is ethyl 2-(4-methylcyclohexanecarbonyl)pentanoate.
What is the SMILES notation for ethyl 2-(4-methylcyclohexanecarbonyl)pentanoate?
The canonical SMILES for ethyl 2-(4-methylcyclohexanecarbonyl)pentanoate is CCCC(C(=O)OCC)C(=O)C1CCC(C)CC1.
What is the InChIKey of ethyl 2-(4-methylcyclohexanecarbonyl)pentanoate?
The InChIKey is QXVLYLPSXPRITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-4-6-13(15(17)18-5-2)14(16)12-9-7-11(3)8-10-12/h11-13H,4-10H2,1-3H3.
What are the key properties of ethyl 2-(4-methylcyclohexanecarbonyl)pentanoate?
ethyl 2-(4-methylcyclohexanecarbonyl)pentanoate has a molecular weight of 254.37 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylcyclohexanecarbonyl)pentanoate is sourced from PubChem (CID 83049892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).