2-hept-6-enylcyclohexane-1-carboxylic acid

C14H24O2 — CID 107010655

IUPAC2-hept-6-enylcyclohexane-1-carboxylic acid
SMILESC=CCCCCCC1CCCCC1C(=O)O
InChIInChI=1S/C14H24O2/c1-2-3-4-5-6-9-12-10-7-8-11-13(12)14(15)16/h2,12-13H,1,3-11H2,(H,15,16)
InChIKeyZZOKPKQQQYPKIA-UHFFFAOYSA-N
MW224.34 g/mol
LogP4.01
Rot. Bonds7

About 2-hept-6-enylcyclohexane-1-carboxylic acid

2-hept-6-enylcyclohexane-1-carboxylic acid (PubChem CID 107010655) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-hept-6-enylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-hept-6-enylcyclohexane-1-carboxylic acid
PubChem CID107010655
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-hept-6-enylcyclohexane-1-carboxylic acid
SMILESC=CCCCCCC1CCCCC1C(=O)O
InChIInChI=1S/C14H24O2/c1-2-3-4-5-6-9-12-10-7-8-11-13(12)14(15)16/h2,12-13H,1,3-11H2,(H,15,16)
InChIKeyZZOKPKQQQYPKIA-UHFFFAOYSA-N
XLogP4.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.01
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-hept-6-enylcycloheptane-1-carboxylic acid
CID 107010657
cis-(1R,2S)-2-(2-oxohex-5-enyl)cyclohexane-1-carboxylic acid
CID 58070902
(2-hept-6-enylcyclohexyl)methanamine
CID 107010667
2-(2-prop-2-enoyloxyethyl)cyclohexane-1-carboxylic acid
CID 59129651
trans-(1R,2R)-2-(5-propanoyloxypentyl)cyclohexane-1-carboxylic acid
CID 177308451
4-tert-butyl-2-pent-4-enylcyclohexane-1-carboxylic acid
CID 81021329
2-pent-4-enylcyclohexan-1-ol
CID 59087603
(2S)-2-(3-boronopropyl)cyclopentane-1-carboxylic acid
CID 69054314
1-hept-6-enyl-2-methylcyclopropane
CID 173435443
hex-5-enylcyclopentane
CID 20565123
(2-pent-4-enylcyclohexyl)methanamine
CID 81010677
cis-(1S,2S)-2-(fluoromethyl)cyclohexane-1-carboxylic acid
CID 96581669

Frequently Asked Questions

What is the IUPAC name of 2-hept-6-enylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-hept-6-enylcyclohexane-1-carboxylic acid (CID 107010655) is 2-hept-6-enylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-hept-6-enylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-hept-6-enylcyclohexane-1-carboxylic acid is C=CCCCCCC1CCCCC1C(=O)O.
What is the InChIKey of 2-hept-6-enylcyclohexane-1-carboxylic acid?
The InChIKey is ZZOKPKQQQYPKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-2-3-4-5-6-9-12-10-7-8-11-13(12)14(15)16/h2,12-13H,1,3-11H2,(H,15,16).
What are the key properties of 2-hept-6-enylcyclohexane-1-carboxylic acid?
2-hept-6-enylcyclohexane-1-carboxylic acid has a molecular weight of 224.34 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hept-6-enylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 107010655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).