ethenoxyethene;methyl prop-2-enoate

C8H12O3 — CID 159119515

IUPACethenoxyethene;methyl prop-2-enoate
SMILESC=CC(=O)OC.C=COC=C
InChIInChI=1S/C4H6O2.C4H6O/c1-3-4(5)6-2;1-3-5-4-2/h3H,1H2,2H3;3-4H,1-2H2
InChIKeyKFMXKHWMDPVZAZ-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.64
Rot. Bonds3

About ethenoxyethene;methyl prop-2-enoate

ethenoxyethene;methyl prop-2-enoate (PubChem CID 159119515) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is ethenoxyethene;methyl prop-2-enoate.

Molecular Properties

Compound Nameethenoxyethene;methyl prop-2-enoate
PubChem CID159119515
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Nameethenoxyethene;methyl prop-2-enoate
SMILESC=CC(=O)OC.C=COC=C
InChIInChI=1S/C4H6O2.C4H6O/c1-3-4(5)6-2;1-3-5-4-2/h3H,1H2,2H3;3-4H,1-2H2
InChIKeyKFMXKHWMDPVZAZ-UHFFFAOYSA-N
XLogP1.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.64
H-Bond Donors ≤ 50
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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Related Compounds

Methyl Acrylate
CID 7294
Butyl Acrylate
CID 8846
Ethyl Acrylate
CID 8821
Isobutyl acrylate
CID 7819
2-Ethoxyethyl acrylate
CID 7827
n-Propyl acrylate
CID 13550
Isopropyl acrylate
CID 12716
Vinyl crotonate
CID 5365800
2-Methoxyethyl acrylate
CID 18392
Vinyl acrylate
CID 75118
Allyl acrylate
CID 13835
Pentyl acrylate
CID 76345

Frequently Asked Questions

What is the IUPAC name of ethenoxyethene;methyl prop-2-enoate?
The IUPAC name of ethenoxyethene;methyl prop-2-enoate (CID 159119515) is ethenoxyethene;methyl prop-2-enoate.
What is the SMILES notation for ethenoxyethene;methyl prop-2-enoate?
The canonical SMILES for ethenoxyethene;methyl prop-2-enoate is C=CC(=O)OC.C=COC=C.
What is the InChIKey of ethenoxyethene;methyl prop-2-enoate?
The InChIKey is KFMXKHWMDPVZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C4H6O/c1-3-4(5)6-2;1-3-5-4-2/h3H,1H2,2H3;3-4H,1-2H2.
What are the key properties of ethenoxyethene;methyl prop-2-enoate?
ethenoxyethene;methyl prop-2-enoate has a molecular weight of 156.18 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxyethene;methyl prop-2-enoate is sourced from PubChem (CID 159119515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).