(Z)-hept-5-enoic acid

C7H12O2 — CID 12635920

IUPAC(Z)-hept-5-enoic acid
SMILESC/C=C\CCCC(=O)O
InChIInChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h2-3H,4-6H2,1H3,(H,8,9)/b3-2-
InChIKeyKPSZWAJWFMFMFF-IHWYPQMZSA-N
MW128.17 g/mol
LogP1.82
Rot. Bonds4

About (Z)-hept-5-enoic acid

(Z)-hept-5-enoic acid (PubChem CID 12635920) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (Z)-hept-5-enoic acid.

Molecular Properties

Compound Name(Z)-hept-5-enoic acid
PubChem CID12635920
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(Z)-hept-5-enoic acid
SMILESC/C=C\CCCC(=O)O
InChIInChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h2-3H,4-6H2,1H3,(H,8,9)/b3-2-
InChIKeyKPSZWAJWFMFMFF-IHWYPQMZSA-N
XLogP1.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.82
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

Arachidonic Acid
CID 444899
Icosapent
CID 446284
Gamma-Linolenic acid
CID 5280933
Stearidonic Acid
CID 5312508
Eicosapentaenoic Acid
CID 5282847
cis-4-Octenedioic acid
CID 11805205
cis-5-Dodecenoic acid
CID 5312378
cis-5-Tetradecenoic acid
CID 5312400
Icosa-5,8,11,14-tetraenoic acid
CID 5312542
5-Tetradecenoic acid
CID 5282740
4-Decenoic Acid
CID 93732
3-Octenoic acid
CID 15307

Frequently Asked Questions

What is the IUPAC name of (Z)-hept-5-enoic acid?
The IUPAC name of (Z)-hept-5-enoic acid (CID 12635920) is (Z)-hept-5-enoic acid.
What is the SMILES notation for (Z)-hept-5-enoic acid?
The canonical SMILES for (Z)-hept-5-enoic acid is C/C=C\CCCC(=O)O.
What is the InChIKey of (Z)-hept-5-enoic acid?
The InChIKey is KPSZWAJWFMFMFF-IHWYPQMZSA-N. The full InChI is InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h2-3H,4-6H2,1H3,(H,8,9)/b3-2-.
What are the key properties of (Z)-hept-5-enoic acid?
(Z)-hept-5-enoic acid has a molecular weight of 128.17 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hept-5-enoic acid is sourced from PubChem (CID 12635920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).