(2-hydroxy-3-prop-2-enoyloxyprop-2-enyl) prop-2-enoate

C9H10O5 — CID 175362972

IUPAC(2-hydroxy-3-prop-2-enoyloxyprop-2-enyl) prop-2-enoate
SMILESC=CC(=O)OC=C(O)COC(=O)C=C
InChIInChI=1S/C9H10O5/c1-3-8(11)13-5-7(10)6-14-9(12)4-2/h3-5,10H,1-2,6H2
InChIKeyNFCIWYVBYNZGIM-UHFFFAOYSA-N
MW198.17 g/mol
LogP0.84
Rot. Bonds5

About (2-hydroxy-3-prop-2-enoyloxyprop-2-enyl) prop-2-enoate

(2-hydroxy-3-prop-2-enoyloxyprop-2-enyl) prop-2-enoate (PubChem CID 175362972) has the molecular formula C9H10O5 and a molecular weight of 198.17 g/mol. Its IUPAC name is (2-hydroxy-3-prop-2-enoyloxyprop-2-enyl) prop-2-enoate.

Molecular Properties

Compound Name(2-hydroxy-3-prop-2-enoyloxyprop-2-enyl) prop-2-enoate
PubChem CID175362972
Molecular FormulaC9H10O5
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name(2-hydroxy-3-prop-2-enoyloxyprop-2-enyl) prop-2-enoate
SMILESC=CC(=O)OC=C(O)COC(=O)C=C
InChIInChI=1S/C9H10O5/c1-3-8(11)13-5-7(10)6-14-9(12)4-2/h3-5,10H,1-2,6H2
InChIKeyNFCIWYVBYNZGIM-UHFFFAOYSA-N
XLogP0.84
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2-hydroxy-3-prop-2-enoyloxyprop-2-enyl) 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-(prop-2-enoyloxymethyl)prop-2-enyl prop-2-enoate
CID 87837964
(2-ethenoxy-2-oxoethyl) prop-2-enoate
CID 18411317
methane;2-oxobut-3-enyl prop-2-enoate
CID 161424995
propyl 2-hydroxy-3-prop-2-enoyloxyprop-2-enoate
CID 141320974
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
[2-(methylamino)-2-oxoethyl] prop-2-enoate
CID 141279925
methane;prop-2-enyl prop-2-enoate
CID 87568259
ethenyl prop-2-enoate;urea
CID 146453811
hydroxymethyl prop-2-enoate;hydrate
CID 88522890
[(E)-2-oxopent-3-enyl] prop-2-enoate
CID 141312744
4-oxo-4-(4-prop-2-enoyloxybutoxy)but-2-enoic acid
CID 73413412
(4-methyl-2-oxopentyl) prop-2-enoate
CID 58048888

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-prop-2-enoyloxyprop-2-enyl) prop-2-enoate?
The IUPAC name of (2-hydroxy-3-prop-2-enoyloxyprop-2-enyl) prop-2-enoate (CID 175362972) is (2-hydroxy-3-prop-2-enoyloxyprop-2-enyl) prop-2-enoate.
What is the SMILES notation for (2-hydroxy-3-prop-2-enoyloxyprop-2-enyl) prop-2-enoate?
The canonical SMILES for (2-hydroxy-3-prop-2-enoyloxyprop-2-enyl) prop-2-enoate is C=CC(=O)OC=C(O)COC(=O)C=C.
What is the InChIKey of (2-hydroxy-3-prop-2-enoyloxyprop-2-enyl) prop-2-enoate?
The InChIKey is NFCIWYVBYNZGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O5/c1-3-8(11)13-5-7(10)6-14-9(12)4-2/h3-5,10H,1-2,6H2.
What are the key properties of (2-hydroxy-3-prop-2-enoyloxyprop-2-enyl) prop-2-enoate?
(2-hydroxy-3-prop-2-enoyloxyprop-2-enyl) prop-2-enoate has a molecular weight of 198.17 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-prop-2-enoyloxyprop-2-enyl) prop-2-enoate is sourced from PubChem (CID 175362972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).