3-hydroxyprop-2-enyl prop-2-enoate;methane

C7H12O3 — CID 173438743

IUPAC3-hydroxyprop-2-enyl prop-2-enoate;methane
SMILESC.C=CC(=O)OCC=CO
InChIInChI=1S/C6H8O3.CH4/c1-2-6(8)9-5-3-4-7;/h2-4,7H,1,5H2;1H4
InChIKeyPLXBUFYWKFTAIX-UHFFFAOYSA-N
MW144.17 g/mol
LogP1.42
Rot. Bonds3

About 3-hydroxyprop-2-enyl prop-2-enoate;methane

3-hydroxyprop-2-enyl prop-2-enoate;methane (PubChem CID 173438743) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-hydroxyprop-2-enyl prop-2-enoate;methane.

Molecular Properties

Compound Name3-hydroxyprop-2-enyl prop-2-enoate;methane
PubChem CID173438743
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name3-hydroxyprop-2-enyl prop-2-enoate;methane
SMILESC.C=CC(=O)OCC=CO
InChIInChI=1S/C6H8O3.CH4/c1-2-6(8)9-5-3-4-7;/h2-4,7H,1,5H2;1H4
InChIKeyPLXBUFYWKFTAIX-UHFFFAOYSA-N
XLogP1.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.42
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

2-hydroxyethyl prop-2-enoate;3-hydroxyprop-2-enyl prop-2-enoate
CID 173020025
methane;prop-2-enyl prop-2-enoate
CID 87568259
[(Z)-3-chloroprop-2-enyl] prop-2-enoate
CID 5354525
[(2E)-penta-2,4-dienyl] prop-2-enoate
CID 88501874
buta-1,3-diene;prop-2-enyl prop-2-enoate
CID 87253709
[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-2-enyl] prop-2-enoate
CID 76599744
[(2E)-octa-2,7-dienyl] prop-2-enoate
CID 12861169
but-2-enyl prop-2-enoate;ethene;prop-2-enoic acid
CID 174361149
buta-1,3-diene;but-2-enyl prop-2-enoate;prop-2-enoic acid
CID 175280821
[(E)-4-[(E)-4-prop-2-enoyloxybut-2-enyl]sulfanylcarbothioylsulfanylbut-2-enyl] prop-2-enoate
CID 102130916
buta-2,3-dienyl prop-2-enoate
CID 91383520
but-2-enyl prop-2-enoate;ethene;trimethoxysilane
CID 174451468

Frequently Asked Questions

What is the IUPAC name of 3-hydroxyprop-2-enyl prop-2-enoate;methane?
The IUPAC name of 3-hydroxyprop-2-enyl prop-2-enoate;methane (CID 173438743) is 3-hydroxyprop-2-enyl prop-2-enoate;methane.
What is the SMILES notation for 3-hydroxyprop-2-enyl prop-2-enoate;methane?
The canonical SMILES for 3-hydroxyprop-2-enyl prop-2-enoate;methane is C.C=CC(=O)OCC=CO.
What is the InChIKey of 3-hydroxyprop-2-enyl prop-2-enoate;methane?
The InChIKey is PLXBUFYWKFTAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3.CH4/c1-2-6(8)9-5-3-4-7;/h2-4,7H,1,5H2;1H4.
What are the key properties of 3-hydroxyprop-2-enyl prop-2-enoate;methane?
3-hydroxyprop-2-enyl prop-2-enoate;methane has a molecular weight of 144.17 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyprop-2-enyl prop-2-enoate;methane is sourced from PubChem (CID 173438743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).