2-hydroxypentyl prop-2-enoate

C8H14O3 — CID 21267645

IUPAC2-hydroxypentyl prop-2-enoate
SMILESC=CC(=O)OCC(O)CCC
InChIInChI=1S/C8H14O3/c1-3-5-7(9)6-11-8(10)4-2/h4,7,9H,2-3,5-6H2,1H3
InChIKeyFQLZCZIQXBTZGB-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.88
Rot. Bonds5

About 2-hydroxypentyl prop-2-enoate

2-hydroxypentyl prop-2-enoate (PubChem CID 21267645) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-hydroxypentyl prop-2-enoate.

Molecular Properties

Compound Name2-hydroxypentyl prop-2-enoate
PubChem CID21267645
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-hydroxypentyl prop-2-enoate
SMILESC=CC(=O)OCC(O)CCC
InChIInChI=1S/C8H14O3/c1-3-5-7(9)6-11-8(10)4-2/h4,7,9H,2-3,5-6H2,1H3
InChIKeyFQLZCZIQXBTZGB-UHFFFAOYSA-N
XLogP0.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxypropyl acrylate
CID 61249
2-Propenoic acid, 1-(hydroxymethyl)propyl ester
CID 86186
2-Hydroxy-1-methylethyl acrylate
CID 94246
2-Propenoic acid, 2-hydroxybutyl ester
CID 102811
2-Propenoic acid, polymer with 2-hydroxypropyl 2-propenoate
CID 170191
2-Propenoic acid, 3-butoxy-2-hydroxypropyl ester
CID 114487
2,3-Dihydroxypropyl 2-propenoate
CID 112001
[(2R)-1-hydroxypropan-2-yl] prop-2-enoate
CID 5748640
Butyl acrylate 2-hydroxyethyl acrylate
CID 86626547
Glycerol diacrylate
CID 9877660
2-Acryloylglycerol
CID 10313205
2-Hydroxyoctyl acrylate
CID 13932176

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypentyl prop-2-enoate?
The IUPAC name of 2-hydroxypentyl prop-2-enoate (CID 21267645) is 2-hydroxypentyl prop-2-enoate.
What is the SMILES notation for 2-hydroxypentyl prop-2-enoate?
The canonical SMILES for 2-hydroxypentyl prop-2-enoate is C=CC(=O)OCC(O)CCC.
What is the InChIKey of 2-hydroxypentyl prop-2-enoate?
The InChIKey is FQLZCZIQXBTZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-5-7(9)6-11-8(10)4-2/h4,7,9H,2-3,5-6H2,1H3.
What are the key properties of 2-hydroxypentyl prop-2-enoate?
2-hydroxypentyl prop-2-enoate has a molecular weight of 158.20 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypentyl prop-2-enoate is sourced from PubChem (CID 21267645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).