(Z)-2-propylhex-4-enoic acid

C9H16O2 — CID 59965143

IUPAC(Z)-2-propylhex-4-enoic acid
SMILESC/C=C\CC(CCC)C(=O)O
InChIInChI=1S/C9H16O2/c1-3-5-7-8(6-4-2)9(10)11/h3,5,8H,4,6-7H2,1-2H3,(H,10,11)/b5-3-
InChIKeyIJLJQFZGQCARNF-HYXAFXHYSA-N
MW156.22 g/mol
LogP2.45
Rot. Bonds5

About (Z)-2-propylhex-4-enoic acid

(Z)-2-propylhex-4-enoic acid (PubChem CID 59965143) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (Z)-2-propylhex-4-enoic acid.

Molecular Properties

Compound Name(Z)-2-propylhex-4-enoic acid
PubChem CID59965143
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(Z)-2-propylhex-4-enoic acid
SMILESC/C=C\CC(CCC)C(=O)O
InChIInChI=1S/C9H16O2/c1-3-5-7-8(6-4-2)9(10)11/h3,5,8H,4,6-7H2,1-2H3,(H,10,11)/b5-3-
InChIKeyIJLJQFZGQCARNF-HYXAFXHYSA-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'}

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Related Compounds

(E,2R)-2-ethylhex-4-enoic acid
CID 11579146
formic acid;2-propylpentanoic acid
CID 87531584
2-ethylpentanoic acid
CID 30020
2-ethylpentanoic acid
CID 158993232
(E)-2-butylhept-4-enoic acid
CID 166071472
disodium;hydride;hydron;bis(2-propylpentanoic acid)
CID 173312027
calcium;sodium;hydride;2-propylpentanoic acid
CID 174695828
(E)-2-(2-methylpentanoylamino)hex-4-enoic acid
CID 120694191
ethane;(6Z)-2-methyl-3-propan-2-yl-4-propylocta-2,6-diene;vanadium
CID 142844874
(2S)-2-propylbutanedioic acid
CID 12648185
2-ethyldeca-4,6,8-trienoic acid
CID 175025766
7-ethoxycarbonyl-2-pentyldodec-4-enoic acid
CID 71386217

Frequently Asked Questions

What is the IUPAC name of (Z)-2-propylhex-4-enoic acid?
The IUPAC name of (Z)-2-propylhex-4-enoic acid (CID 59965143) is (Z)-2-propylhex-4-enoic acid.
What is the SMILES notation for (Z)-2-propylhex-4-enoic acid?
The canonical SMILES for (Z)-2-propylhex-4-enoic acid is C/C=C\CC(CCC)C(=O)O.
What is the InChIKey of (Z)-2-propylhex-4-enoic acid?
The InChIKey is IJLJQFZGQCARNF-HYXAFXHYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-5-7-8(6-4-2)9(10)11/h3,5,8H,4,6-7H2,1-2H3,(H,10,11)/b5-3-.
What are the key properties of (Z)-2-propylhex-4-enoic acid?
(Z)-2-propylhex-4-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-propylhex-4-enoic acid is sourced from PubChem (CID 59965143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).