2-cyclopentyl-4-(2-methylpropoxy)butanoic acid

C13H24O3 — CID 106454943

IUPAC2-cyclopentyl-4-(2-methylpropoxy)butanoic acid
SMILESCC(C)COCCC(C(=O)O)C1CCCC1
InChIInChI=1S/C13H24O3/c1-10(2)9-16-8-7-12(13(14)15)11-5-3-4-6-11/h10-12H,3-9H2,1-2H3,(H,14,15)
InChIKeyVEVKWWMXBDFAFU-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.94
Rot. Bonds7

About 2-cyclopentyl-4-(2-methylpropoxy)butanoic acid

2-cyclopentyl-4-(2-methylpropoxy)butanoic acid (PubChem CID 106454943) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 2-cyclopentyl-4-(2-methylpropoxy)butanoic acid.

Molecular Properties

Compound Name2-cyclopentyl-4-(2-methylpropoxy)butanoic acid
PubChem CID106454943
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name2-cyclopentyl-4-(2-methylpropoxy)butanoic acid
SMILESCC(C)COCCC(C(=O)O)C1CCCC1
InChIInChI=1S/C13H24O3/c1-10(2)9-16-8-7-12(13(14)15)11-5-3-4-6-11/h10-12H,3-9H2,1-2H3,(H,14,15)
InChIKeyVEVKWWMXBDFAFU-UHFFFAOYSA-N
XLogP2.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-4-(3-methylbutoxy)butanoic acid
CID 112569302
2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 113427269
2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 112590816
2-cyclohexyl-4-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]butanoic acid
CID 160562637
2-cycloheptyl-4-methylpentanoic acid
CID 82928774
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanedioic acid
CID 175405425
2-cyclopentyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine
CID 106457280
(2S)-2-amino-4-(2-methylpropoxy)butanoic acid
CID 103942646
2-cyclopentyltridecanoic acid
CID 22665117
2-cycloheptylbutanoic acid
CID 79007061
2-cyclobutylhexanoic acid
CID 102568246
2-cyclohexyldecanoic acid
CID 19004831

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-(2-methylpropoxy)butanoic acid?
The IUPAC name of 2-cyclopentyl-4-(2-methylpropoxy)butanoic acid (CID 106454943) is 2-cyclopentyl-4-(2-methylpropoxy)butanoic acid.
What is the SMILES notation for 2-cyclopentyl-4-(2-methylpropoxy)butanoic acid?
The canonical SMILES for 2-cyclopentyl-4-(2-methylpropoxy)butanoic acid is CC(C)COCCC(C(=O)O)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-4-(2-methylpropoxy)butanoic acid?
The InChIKey is VEVKWWMXBDFAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-10(2)9-16-8-7-12(13(14)15)11-5-3-4-6-11/h10-12H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-cyclopentyl-4-(2-methylpropoxy)butanoic acid?
2-cyclopentyl-4-(2-methylpropoxy)butanoic acid has a molecular weight of 228.33 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-(2-methylpropoxy)butanoic acid is sourced from PubChem (CID 106454943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).