2-cyclopentylhept-6-enoic acid

C12H20O2 — CID 112569181

IUPAC2-cyclopentylhept-6-enoic acid
SMILESC=CCCCC(C(=O)O)C1CCCC1
InChIInChI=1S/C12H20O2/c1-2-3-4-9-11(12(13)14)10-7-5-6-8-10/h2,10-11H,1,3-9H2,(H,13,14)
InChIKeyHKELPVLPLDGIEH-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.23
Rot. Bonds6

About 2-cyclopentylhept-6-enoic acid

2-cyclopentylhept-6-enoic acid (PubChem CID 112569181) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-cyclopentylhept-6-enoic acid.

Molecular Properties

Compound Name2-cyclopentylhept-6-enoic acid
PubChem CID112569181
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-cyclopentylhept-6-enoic acid
SMILESC=CCCCC(C(=O)O)C1CCCC1
InChIInChI=1S/C12H20O2/c1-2-3-4-9-11(12(13)14)10-7-5-6-8-10/h2,10-11H,1,3-9H2,(H,13,14)
InChIKeyHKELPVLPLDGIEH-UHFFFAOYSA-N
XLogP3.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyltridecanoic acid
CID 22665117
1-cycloheptylhex-5-en-1-ol
CID 65399153
2-cyclobutylhexanoic acid
CID 102568246
2-cyclohexyldecanoic acid
CID 19004831
(2S)-2-cyclobutylheptanoic acid
CID 99988049
2-cyclopentyl-5-methylsulfonylpentanoic acid
CID 112569238
2-cycloheptyl-3-hydroxypropanoic acid
CID 83817561
(2R)-2-cyclobutyl-3-cyclopropylpropanoic acid
CID 99988116
(2R)-2-hydroxyhept-6-enoic acid
CID 55302354
bis(prop-2-enyl) 2-cyclohexylhexanedioate
CID 139909505
2-cycloheptylbutanoic acid
CID 79007061
3-chloro-2-cyclohexylpropanoic acid
CID 151396800

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylhept-6-enoic acid?
The IUPAC name of 2-cyclopentylhept-6-enoic acid (CID 112569181) is 2-cyclopentylhept-6-enoic acid.
What is the SMILES notation for 2-cyclopentylhept-6-enoic acid?
The canonical SMILES for 2-cyclopentylhept-6-enoic acid is C=CCCCC(C(=O)O)C1CCCC1.
What is the InChIKey of 2-cyclopentylhept-6-enoic acid?
The InChIKey is HKELPVLPLDGIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-3-4-9-11(12(13)14)10-7-5-6-8-10/h2,10-11H,1,3-9H2,(H,13,14).
What are the key properties of 2-cyclopentylhept-6-enoic acid?
2-cyclopentylhept-6-enoic acid has a molecular weight of 196.29 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylhept-6-enoic acid is sourced from PubChem (CID 112569181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).