2-cyclopentyl-2-methoxycarbonyl-6-methylheptanoic acid

C15H26O4 — CID 103974712

IUPAC2-cyclopentyl-2-methoxycarbonyl-6-methylheptanoic acid
SMILESCOC(=O)C(CCCC(C)C)(C(=O)O)C1CCCC1
InChIInChI=1S/C15H26O4/c1-11(2)7-6-10-15(13(16)17,14(18)19-3)12-8-4-5-9-12/h11-12H,4-10H2,1-3H3,(H,16,17)
InChIKeyPKKFIHSMTNLSHM-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.25
Rot. Bonds7

About 2-cyclopentyl-2-methoxycarbonyl-6-methylheptanoic acid

2-cyclopentyl-2-methoxycarbonyl-6-methylheptanoic acid (PubChem CID 103974712) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-cyclopentyl-2-methoxycarbonyl-6-methylheptanoic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-methoxycarbonyl-6-methylheptanoic acid
PubChem CID103974712
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name2-cyclopentyl-2-methoxycarbonyl-6-methylheptanoic acid
SMILESCOC(=O)C(CCCC(C)C)(C(=O)O)C1CCCC1
InChIInChI=1S/C15H26O4/c1-11(2)7-6-10-15(13(16)17,14(18)19-3)12-8-4-5-9-12/h11-12H,4-10H2,1-3H3,(H,16,17)
InChIKeyPKKFIHSMTNLSHM-UHFFFAOYSA-N
XLogP3.25
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyclopentyl-2-methoxycarbonyl-6-methylheptanoic acid 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

dimethyl 2-cyclopentyl-2-(3-methylbutyl)propanedioate
CID 113360294
2-cyclopentyl-5,5,5-trifluoro-2-methoxycarbonylpentanoic acid
CID 103974632
2-cyclopentyl-4-methoxy-2-methoxycarbonylpentanoic acid
CID 113383105
2-cyclopentyl-4-ethyl-2-methoxycarbonylhexanoic acid
CID 113360497
dimethyl 2-cyclopentyl-2-(2-methylpentyl)propanedioate
CID 103973134
2-cyclopentyl-2-methoxycarbonyl-4-(oxolan-2-yl)butanoic acid
CID 103974658
bis(2,2-dimethylpropyl) 2-cyclopentyl-2-(3-methylbutyl)propanedioate
CID 118088525
2-cyclopentyl-3-methoxy-2-(oxan-4-ylmethyl)-3-oxopropanoic acid
CID 103974672
diethyl 2-cyclopentyl-2-(2-methylpropyl)propanedioate
CID 70189214
2-cyclopentyl-2-(1-methoxypropyl)-5-methylhexanoic acid
CID 67678236
dimethyl 2-(3-methylbutyl)-2-(4-methylpentyl)propanedioate
CID 139692191
dimethyl 2-(4-methylpentyl)-2-(2-methylpropyl)propanedioate
CID 139692173

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-methoxycarbonyl-6-methylheptanoic acid?
The IUPAC name of 2-cyclopentyl-2-methoxycarbonyl-6-methylheptanoic acid (CID 103974712) is 2-cyclopentyl-2-methoxycarbonyl-6-methylheptanoic acid.
What is the SMILES notation for 2-cyclopentyl-2-methoxycarbonyl-6-methylheptanoic acid?
The canonical SMILES for 2-cyclopentyl-2-methoxycarbonyl-6-methylheptanoic acid is COC(=O)C(CCCC(C)C)(C(=O)O)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-methoxycarbonyl-6-methylheptanoic acid?
The InChIKey is PKKFIHSMTNLSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-11(2)7-6-10-15(13(16)17,14(18)19-3)12-8-4-5-9-12/h11-12H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 2-cyclopentyl-2-methoxycarbonyl-6-methylheptanoic acid?
2-cyclopentyl-2-methoxycarbonyl-6-methylheptanoic acid has a molecular weight of 270.37 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-methoxycarbonyl-6-methylheptanoic acid is sourced from PubChem (CID 103974712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).