2-cyclopentyl-4-ethyl-2-methoxycarbonylhexanoic acid

C15H26O4 — CID 113360497

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

About 2-cyclopentyl-4-ethyl-2-methoxycarbonylhexanoic acid

2-cyclopentyl-4-ethyl-2-methoxycarbonylhexanoic acid (PubChem CID 113360497) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-cyclopentyl-4-ethyl-2-methoxycarbonylhexanoic acid.

Molecular Properties

Compound Name2-cyclopentyl-4-ethyl-2-methoxycarbonylhexanoic acid
PubChem CID113360497
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name2-cyclopentyl-4-ethyl-2-methoxycarbonylhexanoic acid
SMILESCCC(CC)CC(C(=O)O)(C(=O)OC)C1CCCC1
InChIInChI=1S/C15H26O4/c1-4-11(5-2)10-15(13(16)17,14(18)19-3)12-8-6-7-9-12/h11-12H,4-10H2,1-3H3,(H,16,17)
InChIKeyRWJGSJXMQCHEOE-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'}

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Related Compounds

2-cyclopentyl-4-methoxy-2-methoxycarbonylpentanoic acid
CID 113383105
2-cyclopentyl-2-methoxycarbonyl-6-methylheptanoic acid
CID 103974712
dimethyl 2-cyclopentyl-2-(2-methylpentyl)propanedioate
CID 103973134
2-cyclopentyl-5,5,5-trifluoro-2-methoxycarbonylpentanoic acid
CID 103974632
dimethyl 2-cyclopentyl-2-(3-methylbutyl)propanedioate
CID 113360294
2-cyclopentyl-3-methoxy-2-(oxan-4-ylmethyl)-3-oxopropanoic acid
CID 103974672
2-cyclohexyl-2-methoxycarbothioylbutanoic acid
CID 174349649
magnesium;2-cyclohexyl-2-ethylpropanedioic acid;hydride
CID 174968712
2-cyclopentyl-2-methoxycarbonyl-4-(oxolan-2-yl)butanoic acid
CID 103974658
[(1R,2R)-2-azanidylcyclohexyl]azanide;bis(4-ethyl-2,2-dimethylhexanoic acid);platinum(2+)
CID 24812603
diethyl 2-cyclopentyl-2-(2-methylpropyl)propanedioate
CID 70189214
2-cyclohexyl-4-ethylhexan-2-ol
CID 114794849

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-ethyl-2-methoxycarbonylhexanoic acid?
The IUPAC name of 2-cyclopentyl-4-ethyl-2-methoxycarbonylhexanoic acid (CID 113360497) is 2-cyclopentyl-4-ethyl-2-methoxycarbonylhexanoic acid.
What is the SMILES notation for 2-cyclopentyl-4-ethyl-2-methoxycarbonylhexanoic acid?
The canonical SMILES for 2-cyclopentyl-4-ethyl-2-methoxycarbonylhexanoic acid is CCC(CC)CC(C(=O)O)(C(=O)OC)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-4-ethyl-2-methoxycarbonylhexanoic acid?
The InChIKey is RWJGSJXMQCHEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-4-11(5-2)10-15(13(16)17,14(18)19-3)12-8-6-7-9-12/h11-12H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 2-cyclopentyl-4-ethyl-2-methoxycarbonylhexanoic acid?
2-cyclopentyl-4-ethyl-2-methoxycarbonylhexanoic 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-4-ethyl-2-methoxycarbonylhexanoic acid is sourced from PubChem (CID 113360497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).