2-cyclopentyl-4-(3-methylbutoxy)butanoic acid

C14H26O3 — CID 112569302

IUPAC2-cyclopentyl-4-(3-methylbutoxy)butanoic acid
SMILESCC(C)CCOCCC(C(=O)O)C1CCCC1
InChIInChI=1S/C14H26O3/c1-11(2)7-9-17-10-8-13(14(15)16)12-5-3-4-6-12/h11-13H,3-10H2,1-2H3,(H,15,16)
InChIKeyKSIUQSMNRQMTDR-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.33
Rot. Bonds8

About 2-cyclopentyl-4-(3-methylbutoxy)butanoic acid

2-cyclopentyl-4-(3-methylbutoxy)butanoic acid (PubChem CID 112569302) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-cyclopentyl-4-(3-methylbutoxy)butanoic acid.

Molecular Properties

Compound Name2-cyclopentyl-4-(3-methylbutoxy)butanoic acid
PubChem CID112569302
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name2-cyclopentyl-4-(3-methylbutoxy)butanoic acid
SMILESCC(C)CCOCCC(C(=O)O)C1CCCC1
InChIInChI=1S/C14H26O3/c1-11(2)7-9-17-10-8-13(14(15)16)12-5-3-4-6-12/h11-13H,3-10H2,1-2H3,(H,15,16)
InChIKeyKSIUQSMNRQMTDR-UHFFFAOYSA-N
XLogP3.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.33
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-(2-methylpropoxy)butanoic acid
CID 106454943
2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 113427269
2-cyclohexyl-4-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]butanoic acid
CID 160562637
2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 112590816
2-cycloheptyl-4-methylpentanoic acid
CID 82928774
2-cyclopentyltridecanoic acid
CID 22665117
2-cycloheptylbutanoic acid
CID 79007061
2-cyclobutylhexanoic acid
CID 102568246
2-cyclohexyldecanoic acid
CID 19004831
(2S)-2-amino-4-(3-methylbutoxy)butanoic acid
CID 106702741
CID 173256646
CID 173256646
N-[2-(3-methylbutoxy)ethyl]cyclopentanamine
CID 61483822

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-(3-methylbutoxy)butanoic acid?
The IUPAC name of 2-cyclopentyl-4-(3-methylbutoxy)butanoic acid (CID 112569302) is 2-cyclopentyl-4-(3-methylbutoxy)butanoic acid.
What is the SMILES notation for 2-cyclopentyl-4-(3-methylbutoxy)butanoic acid?
The canonical SMILES for 2-cyclopentyl-4-(3-methylbutoxy)butanoic acid is CC(C)CCOCCC(C(=O)O)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-4-(3-methylbutoxy)butanoic acid?
The InChIKey is KSIUQSMNRQMTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-11(2)7-9-17-10-8-13(14(15)16)12-5-3-4-6-12/h11-13H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 2-cyclopentyl-4-(3-methylbutoxy)butanoic acid?
2-cyclopentyl-4-(3-methylbutoxy)butanoic acid has a molecular weight of 242.36 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-(3-methylbutoxy)butanoic acid is sourced from PubChem (CID 112569302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).