3-hydroxypropyl 2-methylprop-2-enoate;3-methylideneoxiran-2-one

C10H14O5 — CID 174654040

IUPAC3-hydroxypropyl 2-methylprop-2-enoate;3-methylideneoxiran-2-one
SMILESC=C(C)C(=O)OCCCO.C=C1OC1=O
InChIInChI=1S/C7H12O3.C3H2O2/c1-6(2)7(9)10-5-3-4-8;1-2-3(4)5-2/h8H,1,3-5H2,2H3;1H2
InChIKeyPJYMNMHWSZYORW-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.55
Rot. Bonds4

About 3-hydroxypropyl 2-methylprop-2-enoate;3-methylideneoxiran-2-one

3-hydroxypropyl 2-methylprop-2-enoate;3-methylideneoxiran-2-one (PubChem CID 174654040) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-hydroxypropyl 2-methylprop-2-enoate;3-methylideneoxiran-2-one.

Molecular Properties

Compound Name3-hydroxypropyl 2-methylprop-2-enoate;3-methylideneoxiran-2-one
PubChem CID174654040
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name3-hydroxypropyl 2-methylprop-2-enoate;3-methylideneoxiran-2-one
SMILESC=C(C)C(=O)OCCCO.C=C1OC1=O
InChIInChI=1S/C7H12O3.C3H2O2/c1-6(2)7(9)10-5-3-4-8;1-2-3(4)5-2/h8H,1,3-5H2,2H3;1H2
InChIKeyPJYMNMHWSZYORW-UHFFFAOYSA-N
XLogP0.55
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

hexane-1,6-diol;9-(2-methylprop-2-enoyloxy)nonyl 2-methylprop-2-enoate
CID 90169594
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789
4-hydroxybutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 87803089
1-O-(3-hydroxypropyl) 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] benzene-1,2-dicarboxylate
CID 151164300
3-[3-(3-hydroxypropyl)-5-[3-(2-methylprop-2-enoyloxy)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propyl 2-methylprop-2-enoate
CID 68566366
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
butan-1-ol;heptyl 2-methylprop-2-enoate
CID 118690093
3-sulfanylpropyl 2-methylprop-2-enoate
CID 10034892
4-hydroxybutyl 2-methylprop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 87503275
3-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174621798
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
3-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 161474315

Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropyl 2-methylprop-2-enoate;3-methylideneoxiran-2-one?
The IUPAC name of 3-hydroxypropyl 2-methylprop-2-enoate;3-methylideneoxiran-2-one (CID 174654040) is 3-hydroxypropyl 2-methylprop-2-enoate;3-methylideneoxiran-2-one.
What is the SMILES notation for 3-hydroxypropyl 2-methylprop-2-enoate;3-methylideneoxiran-2-one?
The canonical SMILES for 3-hydroxypropyl 2-methylprop-2-enoate;3-methylideneoxiran-2-one is C=C(C)C(=O)OCCCO.C=C1OC1=O.
What is the InChIKey of 3-hydroxypropyl 2-methylprop-2-enoate;3-methylideneoxiran-2-one?
The InChIKey is PJYMNMHWSZYORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3.C3H2O2/c1-6(2)7(9)10-5-3-4-8;1-2-3(4)5-2/h8H,1,3-5H2,2H3;1H2.
What are the key properties of 3-hydroxypropyl 2-methylprop-2-enoate;3-methylideneoxiran-2-one?
3-hydroxypropyl 2-methylprop-2-enoate;3-methylideneoxiran-2-one has a molecular weight of 214.22 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropyl 2-methylprop-2-enoate;3-methylideneoxiran-2-one is sourced from PubChem (CID 174654040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).