2-(3-hydroxypropyl)penta-3,4-dienoic acid

C8H12O3 — CID 174740309

IUPAC2-(3-hydroxypropyl)penta-3,4-dienoic acid
SMILESC=C=CC(CCCO)C(=O)O
InChIInChI=1S/C8H12O3/c1-2-4-7(8(10)11)5-3-6-9/h4,7,9H,1,3,5-6H2,(H,10,11)
InChIKeyCAJMNFBFPFRMDL-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.80
Rot. Bonds5

About 2-(3-hydroxypropyl)penta-3,4-dienoic acid

2-(3-hydroxypropyl)penta-3,4-dienoic acid (PubChem CID 174740309) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)penta-3,4-dienoic acid.

Molecular Properties

Compound Name2-(3-hydroxypropyl)penta-3,4-dienoic acid
PubChem CID174740309
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2-(3-hydroxypropyl)penta-3,4-dienoic acid
SMILESC=C=CC(CCCO)C(=O)O
InChIInChI=1S/C8H12O3/c1-2-4-7(8(10)11)5-3-6-9/h4,7,9H,1,3,5-6H2,(H,10,11)
InChIKeyCAJMNFBFPFRMDL-UHFFFAOYSA-N
XLogP0.80
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-propylpenta-3,4-dienoic acid
CID 55302925
2-ethenyl-6-methylheptanoic acid
CID 23167196
(Z)-2-(2-oxoethenyl)octadec-9-enoic acid
CID 87083939
3-(benzenesulfinyl)hexa-4,5-dien-1-ol
CID 101143112
2-ethenyltetradecanedioic acid
CID 87751362
(2R)-2-formylhept-6-ynoic acid
CID 137349198
2-ethenyltridecanedioic acid
CID 87254012
methyl 2-[2-(dimethylamino)ethyl]penta-3,4-dienoate
CID 134470243
2-(3-hydroxypropyl)hexanedioic acid
CID 22731110
bis(2-methylpropanoic acid);propane-1,3-diol
CID 174945729
(2-cyano-6-hydroxy-2-methylhexan-3-yl)carbamic acid
CID 138487550
3-trimethylsilylhexa-4,5-dien-1-ol
CID 11263756

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)penta-3,4-dienoic acid?
The IUPAC name of 2-(3-hydroxypropyl)penta-3,4-dienoic acid (CID 174740309) is 2-(3-hydroxypropyl)penta-3,4-dienoic acid.
What is the SMILES notation for 2-(3-hydroxypropyl)penta-3,4-dienoic acid?
The canonical SMILES for 2-(3-hydroxypropyl)penta-3,4-dienoic acid is C=C=CC(CCCO)C(=O)O.
What is the InChIKey of 2-(3-hydroxypropyl)penta-3,4-dienoic acid?
The InChIKey is CAJMNFBFPFRMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-2-4-7(8(10)11)5-3-6-9/h4,7,9H,1,3,5-6H2,(H,10,11).
What are the key properties of 2-(3-hydroxypropyl)penta-3,4-dienoic acid?
2-(3-hydroxypropyl)penta-3,4-dienoic acid has a molecular weight of 156.18 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)penta-3,4-dienoic acid is sourced from PubChem (CID 174740309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).