ethene;methyl prop-2-enoate

C8H14O2 — CID 19431851

IUPACethene;methyl prop-2-enoate
SMILESC=C.C=C.C=CC(=O)OC
InChIInChI=1S/C4H6O2.2C2H4/c1-3-4(5)6-2;2*1-2/h3H,1H2,2H3;2*1-2H2
InChIKeyPSCPBDSTPDRECZ-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.95
Rot. Bonds1

About ethene;methyl prop-2-enoate

ethene;methyl prop-2-enoate (PubChem CID 19431851) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is ethene;methyl prop-2-enoate.

Molecular Properties

Compound Nameethene;methyl prop-2-enoate
PubChem CID19431851
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Nameethene;methyl prop-2-enoate
SMILESC=C.C=C.C=CC(=O)OC
InChIInChI=1S/C4H6O2.2C2H4/c1-3-4(5)6-2;2*1-2/h3H,1H2,2H3;2*1-2H2
InChIKeyPSCPBDSTPDRECZ-UHFFFAOYSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethene;methyl prop-2-enoate?
The IUPAC name of ethene;methyl prop-2-enoate (CID 19431851) is ethene;methyl prop-2-enoate.
What is the SMILES notation for ethene;methyl prop-2-enoate?
The canonical SMILES for ethene;methyl prop-2-enoate is C=C.C=C.C=CC(=O)OC.
What is the InChIKey of ethene;methyl prop-2-enoate?
The InChIKey is PSCPBDSTPDRECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.2C2H4/c1-3-4(5)6-2;2*1-2/h3H,1H2,2H3;2*1-2H2.
What are the key properties of ethene;methyl prop-2-enoate?
ethene;methyl prop-2-enoate has a molecular weight of 142.20 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;methyl prop-2-enoate is sourced from PubChem (CID 19431851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).