2-propylpenta-3,4-dienoic acid

C8H12O2 — CID 55302925

IUPAC2-propylpenta-3,4-dienoic acid
SMILESC=C=CC(CCC)C(=O)O
InChIInChI=1S/C8H12O2/c1-3-5-7(6-4-2)8(9)10/h5,7H,1,4,6H2,2H3,(H,9,10)
InChIKeyWGVBXVVTLYORET-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.83
Rot. Bonds4

About 2-propylpenta-3,4-dienoic acid

2-propylpenta-3,4-dienoic acid (PubChem CID 55302925) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-propylpenta-3,4-dienoic acid.

Molecular Properties

Compound Name2-propylpenta-3,4-dienoic acid
PubChem CID55302925
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-propylpenta-3,4-dienoic acid
SMILESC=C=CC(CCC)C(=O)O
InChIInChI=1S/C8H12O2/c1-3-5-7(6-4-2)8(9)10/h5,7H,1,4,6H2,2H3,(H,9,10)
InChIKeyWGVBXVVTLYORET-UHFFFAOYSA-N
XLogP1.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-hydroxypropyl)penta-3,4-dienoic acid
CID 174740309
2-propa-1,2-dienyl-3-propylhexanedioic acid
CID 174959819
(E)-2-propylhex-3-enoic acid
CID 156873563
(Z)-2-propylhept-3-enoic acid
CID 156873646
diethyl 2-[(4S)-hepta-1,2-dien-4-yl]propanedioate
CID 134966061
(Z)-2-(2-oxoethenyl)octadec-9-enoic acid
CID 87083939
methyl 2-[2-(dimethylamino)ethyl]penta-3,4-dienoate
CID 134470243
(2R,3S)-3-hydroxy-2-propylpent-4-enoic acid
CID 135047760
formic acid;2-propylpentanoic acid
CID 87531584
ethyl 2-propylhexa-3,4-dienoate
CID 121217079
(2R,3S)-3-ethenyl-2-methylhexanoic acid
CID 101105350
carbonic acid;3-methylhex-1-ene
CID 161181273

Frequently Asked Questions

What is the IUPAC name of 2-propylpenta-3,4-dienoic acid?
The IUPAC name of 2-propylpenta-3,4-dienoic acid (CID 55302925) is 2-propylpenta-3,4-dienoic acid.
What is the SMILES notation for 2-propylpenta-3,4-dienoic acid?
The canonical SMILES for 2-propylpenta-3,4-dienoic acid is C=C=CC(CCC)C(=O)O.
What is the InChIKey of 2-propylpenta-3,4-dienoic acid?
The InChIKey is WGVBXVVTLYORET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-5-7(6-4-2)8(9)10/h5,7H,1,4,6H2,2H3,(H,9,10).
What are the key properties of 2-propylpenta-3,4-dienoic acid?
2-propylpenta-3,4-dienoic acid has a molecular weight of 140.18 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylpenta-3,4-dienoic acid is sourced from PubChem (CID 55302925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).