2-(3-hydroxypropyl)pent-2-enoic acid

C8H14O3 — CID 88785343

IUPAC2-(3-hydroxypropyl)pent-2-enoic acid
SMILESCCC=C(CCCO)C(=O)O
InChIInChI=1S/C8H14O3/c1-2-4-7(8(10)11)5-3-6-9/h4,9H,2-3,5-6H2,1H3,(H,10,11)
InChIKeyVVQRUPCDWZLPCQ-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.18
Rot. Bonds5

About 2-(3-hydroxypropyl)pent-2-enoic acid

2-(3-hydroxypropyl)pent-2-enoic acid (PubChem CID 88785343) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)pent-2-enoic acid.

Molecular Properties

Compound Name2-(3-hydroxypropyl)pent-2-enoic acid
PubChem CID88785343
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-(3-hydroxypropyl)pent-2-enoic acid
SMILESCCC=C(CCCO)C(=O)O
InChIInChI=1S/C8H14O3/c1-2-4-7(8(10)11)5-3-6-9/h4,9H,2-3,5-6H2,1H3,(H,10,11)
InChIKeyVVQRUPCDWZLPCQ-UHFFFAOYSA-N
XLogP1.18
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-propylpentanoic acid;2-propylpent-2-enoic acid
CID 161489381
2-ethylidene-8-hydroxyoctanoic acid
CID 123361618
5-hydroxy-2-(2-phenylethylidene)pentanoic acid
CID 70540857
6-hydroxy-2-methylhex-2-enoic acid;2-methylpent-2-enoic acid
CID 173373377
(Z)-2-(2-methylpropyl)pent-2-enoic acid
CID 18516543
(2E)-2-propylideneheptanoic acid;(2E)-2,3,7-trimethylocta-2,6-dienoic acid
CID 87129481
6-hydroxy-2-(2-methylpropylidene)hexanoic acid
CID 54328583
(E)-2-octyldec-2-enoic acid
CID 87824483
2-octylundec-2-enoic acid
CID 87266721
2-hydroxypent-2-enoic acid
CID 20977155
5-hydroxy-2-oxopentanoic acid
CID 23572080
2-octylpent-2-enedioic acid
CID 78151404

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)pent-2-enoic acid?
The IUPAC name of 2-(3-hydroxypropyl)pent-2-enoic acid (CID 88785343) is 2-(3-hydroxypropyl)pent-2-enoic acid.
What is the SMILES notation for 2-(3-hydroxypropyl)pent-2-enoic acid?
The canonical SMILES for 2-(3-hydroxypropyl)pent-2-enoic acid is CCC=C(CCCO)C(=O)O.
What is the InChIKey of 2-(3-hydroxypropyl)pent-2-enoic acid?
The InChIKey is VVQRUPCDWZLPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-4-7(8(10)11)5-3-6-9/h4,9H,2-3,5-6H2,1H3,(H,10,11).
What are the key properties of 2-(3-hydroxypropyl)pent-2-enoic acid?
2-(3-hydroxypropyl)pent-2-enoic acid has a molecular weight of 158.20 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)pent-2-enoic acid is sourced from PubChem (CID 88785343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).