2-hydroxypropyl 2-methyl-3-prop-2-enoyloxypropanoate

C10H16O5 — CID 151533065

IUPAC2-hydroxypropyl 2-methyl-3-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OCC(C)C(=O)OCC(C)O
InChIInChI=1S/C10H16O5/c1-4-9(12)14-5-7(2)10(13)15-6-8(3)11/h4,7-8,11H,1,5-6H2,2-3H3
InChIKeyPWWPKFYZKHGROZ-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.28
Rot. Bonds6

About 2-hydroxypropyl 2-methyl-3-prop-2-enoyloxypropanoate

2-hydroxypropyl 2-methyl-3-prop-2-enoyloxypropanoate (PubChem CID 151533065) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 2-hydroxypropyl 2-methyl-3-prop-2-enoyloxypropanoate.

Molecular Properties

Compound Name2-hydroxypropyl 2-methyl-3-prop-2-enoyloxypropanoate
PubChem CID151533065
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name2-hydroxypropyl 2-methyl-3-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OCC(C)C(=O)OCC(C)O
InChIInChI=1S/C10H16O5/c1-4-9(12)14-5-7(2)10(13)15-6-8(3)11/h4,7-8,11H,1,5-6H2,2-3H3
InChIKeyPWWPKFYZKHGROZ-UHFFFAOYSA-N
XLogP0.28
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-hydroxypropyl 2-methyl-3-prop-2-enoyloxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] 2-methylbutanoate
CID 58805573
2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propyl prop-2-enoate
CID 21458421
2-hydroxypropyl prop-2-enoate;phosphono prop-2-enoate
CID 174553510
phosphono 2-methyl-3-prop-2-enoyloxypropanoate
CID 174544812
2-hydroxypropyl prop-2-enoate;2-methyloxirane
CID 87793859
2-hydroxypropyl prop-2-enoate;3-prop-2-enoyloxypropanoic acid
CID 87645006
(2-hydroxy-2-sulfanylethyl) prop-2-enoate
CID 150473785
1,1,1,3,3,3-hexafluoropropan-2-yl 2-methyl-3-prop-2-enoyloxypropanoate
CID 170086005
[(2S)-2-hydroxybutyl] prop-2-enoate
CID 141242121
[2-methyl-3-(2-methyl-3-prop-2-enoyloxypropoxy)carbonyloxypropyl] prop-2-enoate
CID 139835678
1-(2-hydroxypropoxy)prop-1-enyl prop-2-enoate
CID 175902908
3-hydroxy-2-(prop-2-enoyloxymethyl)butanoic acid
CID 174714719

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl 2-methyl-3-prop-2-enoyloxypropanoate?
The IUPAC name of 2-hydroxypropyl 2-methyl-3-prop-2-enoyloxypropanoate (CID 151533065) is 2-hydroxypropyl 2-methyl-3-prop-2-enoyloxypropanoate.
What is the SMILES notation for 2-hydroxypropyl 2-methyl-3-prop-2-enoyloxypropanoate?
The canonical SMILES for 2-hydroxypropyl 2-methyl-3-prop-2-enoyloxypropanoate is C=CC(=O)OCC(C)C(=O)OCC(C)O.
What is the InChIKey of 2-hydroxypropyl 2-methyl-3-prop-2-enoyloxypropanoate?
The InChIKey is PWWPKFYZKHGROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-4-9(12)14-5-7(2)10(13)15-6-8(3)11/h4,7-8,11H,1,5-6H2,2-3H3.
What are the key properties of 2-hydroxypropyl 2-methyl-3-prop-2-enoyloxypropanoate?
2-hydroxypropyl 2-methyl-3-prop-2-enoyloxypropanoate has a molecular weight of 216.23 g/mol, XLogP of 0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl 2-methyl-3-prop-2-enoyloxypropanoate is sourced from PubChem (CID 151533065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).