(Z)-2-ethenoxyhept-2-enoic acid

C9H14O3 — CID 22364506

IUPAC(Z)-2-ethenoxyhept-2-enoic acid
SMILESC=CO/C(=C\CCCC)C(=O)O
InChIInChI=1S/C9H14O3/c1-3-5-6-7-8(9(10)11)12-4-2/h4,7H,2-3,5-6H2,1H3,(H,10,11)/b8-7-
InChIKeyMMCFAHWBYCVXKR-FPLPWBNLSA-N
MW170.21 g/mol
LogP2.31
Rot. Bonds6

About (Z)-2-ethenoxyhept-2-enoic acid

(Z)-2-ethenoxyhept-2-enoic acid (PubChem CID 22364506) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (Z)-2-ethenoxyhept-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-ethenoxyhept-2-enoic acid
PubChem CID22364506
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(Z)-2-ethenoxyhept-2-enoic acid
SMILESC=CO/C(=C\CCCC)C(=O)O
InChIInChI=1S/C9H14O3/c1-3-5-6-7-8(9(10)11)12-4-2/h4,7H,2-3,5-6H2,1H3,(H,10,11)/b8-7-
InChIKeyMMCFAHWBYCVXKR-FPLPWBNLSA-N
XLogP2.31
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-2-ethenoxyhept-2-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-ethenoxyhept-2-enoic acid?
The IUPAC name of (Z)-2-ethenoxyhept-2-enoic acid (CID 22364506) is (Z)-2-ethenoxyhept-2-enoic acid.
What is the SMILES notation for (Z)-2-ethenoxyhept-2-enoic acid?
The canonical SMILES for (Z)-2-ethenoxyhept-2-enoic acid is C=CO/C(=C\CCCC)C(=O)O.
What is the InChIKey of (Z)-2-ethenoxyhept-2-enoic acid?
The InChIKey is MMCFAHWBYCVXKR-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H14O3/c1-3-5-6-7-8(9(10)11)12-4-2/h4,7H,2-3,5-6H2,1H3,(H,10,11)/b8-7-.
What are the key properties of (Z)-2-ethenoxyhept-2-enoic acid?
(Z)-2-ethenoxyhept-2-enoic acid has a molecular weight of 170.21 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethenoxyhept-2-enoic acid is sourced from PubChem (CID 22364506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).