(Z)-2-ethylhept-3-enoic acid

C9H16O2 — CID 170849276

IUPAC(Z)-2-ethylhept-3-enoic acid
SMILESCCC/C=C\C(CC)C(=O)O
InChIInChI=1S/C9H16O2/c1-3-5-6-7-8(4-2)9(10)11/h6-8H,3-5H2,1-2H3,(H,10,11)/b7-6-
InChIKeyAZPPSJGMFQULGM-SREVYHEPSA-N
MW156.22 g/mol
LogP2.45
Rot. Bonds5

About (Z)-2-ethylhept-3-enoic acid

(Z)-2-ethylhept-3-enoic acid (PubChem CID 170849276) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (Z)-2-ethylhept-3-enoic acid.

Molecular Properties

Compound Name(Z)-2-ethylhept-3-enoic acid
PubChem CID170849276
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(Z)-2-ethylhept-3-enoic acid
SMILESCCC/C=C\C(CC)C(=O)O
InChIInChI=1S/C9H16O2/c1-3-5-6-7-8(4-2)9(10)11/h6-8H,3-5H2,1-2H3,(H,10,11)/b7-6-
InChIKeyAZPPSJGMFQULGM-SREVYHEPSA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-2-ethylhept-3-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 (Z)-2-ethylhept-3-enoic acid?
The IUPAC name of (Z)-2-ethylhept-3-enoic acid (CID 170849276) is (Z)-2-ethylhept-3-enoic acid.
What is the SMILES notation for (Z)-2-ethylhept-3-enoic acid?
The canonical SMILES for (Z)-2-ethylhept-3-enoic acid is CCC/C=C\C(CC)C(=O)O.
What is the InChIKey of (Z)-2-ethylhept-3-enoic acid?
The InChIKey is AZPPSJGMFQULGM-SREVYHEPSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-5-6-7-8(4-2)9(10)11/h6-8H,3-5H2,1-2H3,(H,10,11)/b7-6-.
What are the key properties of (Z)-2-ethylhept-3-enoic acid?
(Z)-2-ethylhept-3-enoic acid has a molecular weight of 156.22 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethylhept-3-enoic acid is sourced from PubChem (CID 170849276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).