(2R)-2-ethenylhex-5-enoic acid

C8H12O2 — CID 91757207

IUPAC(2R)-2-ethenylhex-5-enoic acid
SMILESC=CCC[C@H](C=C)C(=O)O
InChIInChI=1S/C8H12O2/c1-3-5-6-7(4-2)8(9)10/h3-4,7H,1-2,5-6H2,(H,9,10)/t7-/m0/s1
InChIKeyDFPODQAVINQJBE-ZETCQYMHSA-N
MW140.18 g/mol
LogP1.84
Rot. Bonds5

About (2R)-2-ethenylhex-5-enoic acid

(2R)-2-ethenylhex-5-enoic acid (PubChem CID 91757207) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (2R)-2-ethenylhex-5-enoic acid.

Molecular Properties

Compound Name(2R)-2-ethenylhex-5-enoic acid
PubChem CID91757207
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(2R)-2-ethenylhex-5-enoic acid
SMILESC=CCC[C@H](C=C)C(=O)O
InChIInChI=1S/C8H12O2/c1-3-5-6-7(4-2)8(9)10/h3-4,7H,1-2,5-6H2,(H,9,10)/t7-/m0/s1
InChIKeyDFPODQAVINQJBE-ZETCQYMHSA-N
XLogP1.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R)-2-ethenylhex-5-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethenylhex-5-enoic acid?
The IUPAC name of (2R)-2-ethenylhex-5-enoic acid (CID 91757207) is (2R)-2-ethenylhex-5-enoic acid.
What is the SMILES notation for (2R)-2-ethenylhex-5-enoic acid?
The canonical SMILES for (2R)-2-ethenylhex-5-enoic acid is C=CCC[C@H](C=C)C(=O)O.
What is the InChIKey of (2R)-2-ethenylhex-5-enoic acid?
The InChIKey is DFPODQAVINQJBE-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-5-6-7(4-2)8(9)10/h3-4,7H,1-2,5-6H2,(H,9,10)/t7-/m0/s1.
What are the key properties of (2R)-2-ethenylhex-5-enoic acid?
(2R)-2-ethenylhex-5-enoic acid has a molecular weight of 140.18 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethenylhex-5-enoic acid is sourced from PubChem (CID 91757207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).