2-hydroxypropyl prop-2-enoate;2-methyloxirane

C9H16O4 — CID 87793859

IUPAC2-hydroxypropyl prop-2-enoate;2-methyloxirane
SMILESC=CC(=O)OCC(C)O.CC1CO1
InChIInChI=1S/C6H10O3.C3H6O/c1-3-6(8)9-4-5(2)7;1-3-2-4-3/h3,5,7H,1,4H2,2H3;3H,2H2,1H3
InChIKeyAGZSCKAFPJEDEH-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.50
Rot. Bonds3

About 2-hydroxypropyl prop-2-enoate;2-methyloxirane

2-hydroxypropyl prop-2-enoate;2-methyloxirane (PubChem CID 87793859) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-hydroxypropyl prop-2-enoate;2-methyloxirane.

Molecular Properties

Compound Name2-hydroxypropyl prop-2-enoate;2-methyloxirane
PubChem CID87793859
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2-hydroxypropyl prop-2-enoate;2-methyloxirane
SMILESC=CC(=O)OCC(C)O.CC1CO1
InChIInChI=1S/C6H10O3.C3H6O/c1-3-6(8)9-4-5(2)7;1-3-2-4-3/h3,5,7H,1,4H2,2H3;3H,2H2,1H3
InChIKeyAGZSCKAFPJEDEH-UHFFFAOYSA-N
XLogP0.50
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxybutyl prop-2-enoate;2-methyloxirane
CID 174813594
2-hydroxybutyl prop-2-enoate;2-methyloxirane
CID 141341823
2-hydroxypropyl 2-methyl-3-prop-2-enoyloxypropanoate
CID 151533065
2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propyl prop-2-enoate
CID 21458421
2-hydroxypropyl prop-2-enoate;phosphono prop-2-enoate
CID 174553510
2-hydroxypropyl prop-2-enoate;3-prop-2-enoyloxypropanoic acid
CID 87645006
(2-hydroxy-2-sulfanylethyl) prop-2-enoate
CID 150473785
(2-methyloxolan-3-yl) 2-methyl-3-prop-2-enoyloxypropanoate
CID 174524002
[2-hydroxy-3-(oxiran-2-ylmethoxyperoxy)propyl] prop-2-enoate
CID 155005132
2-(1-hydroxyethoxy)butyl prop-2-enoate
CID 142300979
[(2S)-2-hydroxybutyl] prop-2-enoate
CID 141242121
[2-methyl-3-(2-methyl-3-prop-2-enoyloxypropoxy)carbonyloxypropyl] prop-2-enoate
CID 139835678

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl prop-2-enoate;2-methyloxirane?
The IUPAC name of 2-hydroxypropyl prop-2-enoate;2-methyloxirane (CID 87793859) is 2-hydroxypropyl prop-2-enoate;2-methyloxirane.
What is the SMILES notation for 2-hydroxypropyl prop-2-enoate;2-methyloxirane?
The canonical SMILES for 2-hydroxypropyl prop-2-enoate;2-methyloxirane is C=CC(=O)OCC(C)O.CC1CO1.
What is the InChIKey of 2-hydroxypropyl prop-2-enoate;2-methyloxirane?
The InChIKey is AGZSCKAFPJEDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C3H6O/c1-3-6(8)9-4-5(2)7;1-3-2-4-3/h3,5,7H,1,4H2,2H3;3H,2H2,1H3.
What are the key properties of 2-hydroxypropyl prop-2-enoate;2-methyloxirane?
2-hydroxypropyl prop-2-enoate;2-methyloxirane has a molecular weight of 188.22 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl prop-2-enoate;2-methyloxirane is sourced from PubChem (CID 87793859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).