ethenol;methyl prop-2-enoate

C6H10O3 — CID 87190083

IUPACethenol;methyl prop-2-enoate
SMILESC=CC(=O)OC.C=CO
InChIInChI=1S/C4H6O2.C2H4O/c1-3-4(5)6-2;1-2-3/h3H,1H2,2H3;2-3H,1H2
InChIKeyPOMQHJLRXPBUFC-UHFFFAOYSA-N
MW130.14 g/mol
LogP1.03
Rot. Bonds1

About ethenol;methyl prop-2-enoate

ethenol;methyl prop-2-enoate (PubChem CID 87190083) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is ethenol;methyl prop-2-enoate.

Molecular Properties

Compound Nameethenol;methyl prop-2-enoate
PubChem CID87190083
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Nameethenol;methyl prop-2-enoate
SMILESC=CC(=O)OC.C=CO
InChIInChI=1S/C4H6O2.C2H4O/c1-3-4(5)6-2;1-2-3/h3H,1H2,2H3;2-3H,1H2
InChIKeyPOMQHJLRXPBUFC-UHFFFAOYSA-N
XLogP1.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenol;methyl prop-2-enoate?
The IUPAC name of ethenol;methyl prop-2-enoate (CID 87190083) is ethenol;methyl prop-2-enoate.
What is the SMILES notation for ethenol;methyl prop-2-enoate?
The canonical SMILES for ethenol;methyl prop-2-enoate is C=CC(=O)OC.C=CO.
What is the InChIKey of ethenol;methyl prop-2-enoate?
The InChIKey is POMQHJLRXPBUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C2H4O/c1-3-4(5)6-2;1-2-3/h3H,1H2,2H3;2-3H,1H2.
What are the key properties of ethenol;methyl prop-2-enoate?
ethenol;methyl prop-2-enoate has a molecular weight of 130.14 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenol;methyl prop-2-enoate is sourced from PubChem (CID 87190083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).