2,2-dihydroxypropyl 2-methylprop-2-enoate

C7H12O4 — CID 22662536

IUPAC2,2-dihydroxypropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)(O)O
InChIInChI=1S/C7H12O4/c1-5(2)6(8)11-4-7(3,9)10/h9-10H,1,4H2,2-3H3
InChIKeyBPMBELVMIAUTNV-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.19
Rot. Bonds3

About 2,2-dihydroxypropyl 2-methylprop-2-enoate

2,2-dihydroxypropyl 2-methylprop-2-enoate (PubChem CID 22662536) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2,2-dihydroxypropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2,2-dihydroxypropyl 2-methylprop-2-enoate
PubChem CID22662536
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name2,2-dihydroxypropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)(O)O
InChIInChI=1S/C7H12O4/c1-5(2)6(8)11-4-7(3,9)10/h9-10H,1,4H2,2-3H3
InChIKeyBPMBELVMIAUTNV-UHFFFAOYSA-N
XLogP-0.19
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2,2-dihydroxypropyl 2-methylprop-2-enoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dihydroxypropyl 2-methylprop-2-enoate?
The IUPAC name of 2,2-dihydroxypropyl 2-methylprop-2-enoate (CID 22662536) is 2,2-dihydroxypropyl 2-methylprop-2-enoate.
What is the SMILES notation for 2,2-dihydroxypropyl 2-methylprop-2-enoate?
The canonical SMILES for 2,2-dihydroxypropyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)(O)O.
What is the InChIKey of 2,2-dihydroxypropyl 2-methylprop-2-enoate?
The InChIKey is BPMBELVMIAUTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-5(2)6(8)11-4-7(3,9)10/h9-10H,1,4H2,2-3H3.
What are the key properties of 2,2-dihydroxypropyl 2-methylprop-2-enoate?
2,2-dihydroxypropyl 2-methylprop-2-enoate has a molecular weight of 160.17 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dihydroxypropyl 2-methylprop-2-enoate is sourced from PubChem (CID 22662536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).