4-hydroxybut-1-enyl prop-2-enoate

C7H10O3 — CID 141007650

IUPAC4-hydroxybut-1-enyl prop-2-enoate
SMILESC=CC(=O)OC=CCCO
InChIInChI=1S/C7H10O3/c1-2-7(9)10-6-4-3-5-8/h2,4,6,8H,1,3,5H2
InChIKeyUQMPMCOPLCQLFD-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.61
Rot. Bonds4

About 4-hydroxybut-1-enyl prop-2-enoate

4-hydroxybut-1-enyl prop-2-enoate (PubChem CID 141007650) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 4-hydroxybut-1-enyl prop-2-enoate.

Molecular Properties

Compound Name4-hydroxybut-1-enyl prop-2-enoate
PubChem CID141007650
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name4-hydroxybut-1-enyl prop-2-enoate
SMILESC=CC(=O)OC=CCCO
InChIInChI=1S/C7H10O3/c1-2-7(9)10-6-4-3-5-8/h2,4,6,8H,1,3,5H2
InChIKeyUQMPMCOPLCQLFD-UHFFFAOYSA-N
XLogP0.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

hex-1-enyl prop-2-enoate
CID 54292849
hept-1-enyl prop-2-enoate
CID 91566435
tetradec-1-enyl prop-2-enoate
CID 140580779
4-methylpent-1-enyl prop-2-enoate
CID 141310701
bis(2-prop-2-enoyloxyethenyl) butanedioate
CID 175454697
sodium;hydride;3-prop-2-enoyloxyprop-2-ene-1-sulfonic acid
CID 175226552
ethane-1,2-diol;prop-2-enoyloxymethyl prop-2-enoate
CID 138520908
3-oxoprop-1-enyl prop-2-enoate
CID 54470635
(E)-3-prop-2-enoyloxyprop-2-enoic acid
CID 14647351
trimethyl(2-prop-2-enoyloxyethenyl)azanium
CID 171617100
(3,3-dihydroxy-3-methoxyprop-1-enyl) prop-2-enoate
CID 175477221
2-hydroxyethoxymethyl prop-2-enoate
CID 140530940

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybut-1-enyl prop-2-enoate?
The IUPAC name of 4-hydroxybut-1-enyl prop-2-enoate (CID 141007650) is 4-hydroxybut-1-enyl prop-2-enoate.
What is the SMILES notation for 4-hydroxybut-1-enyl prop-2-enoate?
The canonical SMILES for 4-hydroxybut-1-enyl prop-2-enoate is C=CC(=O)OC=CCCO.
What is the InChIKey of 4-hydroxybut-1-enyl prop-2-enoate?
The InChIKey is UQMPMCOPLCQLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-2-7(9)10-6-4-3-5-8/h2,4,6,8H,1,3,5H2.
What are the key properties of 4-hydroxybut-1-enyl prop-2-enoate?
4-hydroxybut-1-enyl prop-2-enoate has a molecular weight of 142.15 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybut-1-enyl prop-2-enoate is sourced from PubChem (CID 141007650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).