(3,3-dihydroxy-3-methoxyprop-1-enyl) prop-2-enoate

C7H10O5 — CID 175477221

IUPAC(3,3-dihydroxy-3-methoxyprop-1-enyl) prop-2-enoate
SMILESC=CC(=O)OC=CC(O)(O)OC
InChIInChI=1S/C7H10O5/c1-3-6(8)12-5-4-7(9,10)11-2/h3-5,9-10H,1H2,2H3
InChIKeyFGUYABYJOVSNAQ-UHFFFAOYSA-N
MW174.15 g/mol
LogP-0.49
Rot. Bonds4

About (3,3-dihydroxy-3-methoxyprop-1-enyl) prop-2-enoate

(3,3-dihydroxy-3-methoxyprop-1-enyl) prop-2-enoate (PubChem CID 175477221) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is (3,3-dihydroxy-3-methoxyprop-1-enyl) prop-2-enoate.

Molecular Properties

Compound Name(3,3-dihydroxy-3-methoxyprop-1-enyl) prop-2-enoate
PubChem CID175477221
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name(3,3-dihydroxy-3-methoxyprop-1-enyl) prop-2-enoate
SMILESC=CC(=O)OC=CC(O)(O)OC
InChIInChI=1S/C7H10O5/c1-3-6(8)12-5-4-7(9,10)11-2/h3-5,9-10H,1H2,2H3
InChIKeyFGUYABYJOVSNAQ-UHFFFAOYSA-N
XLogP-0.49
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3,3-dihydroxy-3-methoxyprop-1-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

trimethyl(2-prop-2-enoyloxyethenyl)azanium
CID 171617100
3-oxoprop-1-enyl prop-2-enoate
CID 54470635
(E)-3-prop-2-enoyloxyprop-2-enoic acid
CID 14647351
bis(2-prop-2-enoyloxyethenyl) butanedioate
CID 175454697
formaldehyde;bis(methyl prop-2-enoate)
CID 174834920
4-methylpent-1-enyl prop-2-enoate
CID 141310701
2-hydroxypropan-2-yl prop-2-enoate
CID 22726323
hex-1-enyl prop-2-enoate
CID 54292849
4-hydroxybut-1-enyl prop-2-enoate
CID 141007650
methyl prop-2-enoate;zinc;hydroiodide
CID 174920800
N-methylmethanamine;methyl prop-2-enoate
CID 160519545
tert-butyl prop-2-enoate;2-methylpropan-2-ol
CID 157277842

Frequently Asked Questions

What is the IUPAC name of (3,3-dihydroxy-3-methoxyprop-1-enyl) prop-2-enoate?
The IUPAC name of (3,3-dihydroxy-3-methoxyprop-1-enyl) prop-2-enoate (CID 175477221) is (3,3-dihydroxy-3-methoxyprop-1-enyl) prop-2-enoate.
What is the SMILES notation for (3,3-dihydroxy-3-methoxyprop-1-enyl) prop-2-enoate?
The canonical SMILES for (3,3-dihydroxy-3-methoxyprop-1-enyl) prop-2-enoate is C=CC(=O)OC=CC(O)(O)OC.
What is the InChIKey of (3,3-dihydroxy-3-methoxyprop-1-enyl) prop-2-enoate?
The InChIKey is FGUYABYJOVSNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O5/c1-3-6(8)12-5-4-7(9,10)11-2/h3-5,9-10H,1H2,2H3.
What are the key properties of (3,3-dihydroxy-3-methoxyprop-1-enyl) prop-2-enoate?
(3,3-dihydroxy-3-methoxyprop-1-enyl) prop-2-enoate has a molecular weight of 174.15 g/mol, XLogP of -0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dihydroxy-3-methoxyprop-1-enyl) prop-2-enoate is sourced from PubChem (CID 175477221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).