2,2,3-trihydroxypropyl prop-2-enoate

C6H10O5 — CID 141124869

IUPAC2,2,3-trihydroxypropyl prop-2-enoate
SMILESC=CC(=O)OCC(O)(O)CO
InChIInChI=1S/C6H10O5/c1-2-5(8)11-4-6(9,10)3-7/h2,7,9-10H,1,3-4H2
InChIKeyLRKDBMBBGVGTLN-UHFFFAOYSA-N
MW162.14 g/mol
LogP-1.61
Rot. Bonds4

About 2,2,3-trihydroxypropyl prop-2-enoate

2,2,3-trihydroxypropyl prop-2-enoate (PubChem CID 141124869) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is 2,2,3-trihydroxypropyl prop-2-enoate.

Molecular Properties

Compound Name2,2,3-trihydroxypropyl prop-2-enoate
PubChem CID141124869
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name2,2,3-trihydroxypropyl prop-2-enoate
SMILESC=CC(=O)OCC(O)(O)CO
InChIInChI=1S/C6H10O5/c1-2-5(8)11-4-6(9,10)3-7/h2,7,9-10H,1,3-4H2
InChIKeyLRKDBMBBGVGTLN-UHFFFAOYSA-N
XLogP-1.61
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-1.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 2,2,3-trihydroxypropyl prop-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

Related Compounds

[2,2-bis(hydroxymethyl)-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 159645135
boranuide;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 161197836
(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate
CID 16680
2,2,2-tri(prop-2-enoyloxy)ethyl prop-2-enoate
CID 19981602
ethane-1,2-diamine;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 131736476
(2-hydroxy-2-methyl-3-oxopent-4-enyl) prop-2-enoate
CID 174578379
(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) prop-2-enoate
CID 58173753
2,2-dimethylbutyl prop-2-enoate;methanediol
CID 143956030
hydroxymethyl prop-2-enoate;hydrate
CID 88522890
[3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-prop-2-enoyloxy-2,2,9,9-tetrakis(prop-2-enoyloxymethyl)decyl] prop-2-enoate
CID 118919135
(2-amino-2-ethylbutyl) prop-2-enoate
CID 57112910
2,2-bis(hydroxymethyl)-3-methylbutane-1,4-diol;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 159925069

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trihydroxypropyl prop-2-enoate?
The IUPAC name of 2,2,3-trihydroxypropyl prop-2-enoate (CID 141124869) is 2,2,3-trihydroxypropyl prop-2-enoate.
What is the SMILES notation for 2,2,3-trihydroxypropyl prop-2-enoate?
The canonical SMILES for 2,2,3-trihydroxypropyl prop-2-enoate is C=CC(=O)OCC(O)(O)CO.
What is the InChIKey of 2,2,3-trihydroxypropyl prop-2-enoate?
The InChIKey is LRKDBMBBGVGTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5/c1-2-5(8)11-4-6(9,10)3-7/h2,7,9-10H,1,3-4H2.
What are the key properties of 2,2,3-trihydroxypropyl prop-2-enoate?
2,2,3-trihydroxypropyl prop-2-enoate has a molecular weight of 162.14 g/mol, XLogP of -1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trihydroxypropyl prop-2-enoate is sourced from PubChem (CID 141124869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).