methoxymethane;methyl prop-2-enoate

C6H12O3 — CID 18352038

IUPACmethoxymethane;methyl prop-2-enoate
SMILESC=CC(=O)OC.COC
InChIInChI=1S/C4H6O2.C2H6O/c1-3-4(5)6-2;1-3-2/h3H,1H2,2H3;1-2H3
InChIKeyKBTAJPTUZHUSNQ-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.61
Rot. Bonds1

About methoxymethane;methyl prop-2-enoate

methoxymethane;methyl prop-2-enoate (PubChem CID 18352038) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is methoxymethane;methyl prop-2-enoate.

Molecular Properties

Compound Namemethoxymethane;methyl prop-2-enoate
PubChem CID18352038
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Namemethoxymethane;methyl prop-2-enoate
SMILESC=CC(=O)OC.COC
InChIInChI=1S/C4H6O2.C2H6O/c1-3-4(5)6-2;1-3-2/h3H,1H2,2H3;1-2H3
InChIKeyKBTAJPTUZHUSNQ-UHFFFAOYSA-N
XLogP0.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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
Dimethyl Fumarate
CID 637568
Dimethyl maleate
CID 5271565
Isobutyl acrylate
CID 7819
tert-Butyl acrylate
CID 15458
Methyl Crotonate
CID 638132
2-Ethoxyethyl acrylate
CID 7827
n-Propyl acrylate
CID 13550
Isopropyl acrylate
CID 12716
2-Methoxyethyl acrylate
CID 18392

Frequently Asked Questions

What is the IUPAC name of methoxymethane;methyl prop-2-enoate?
The IUPAC name of methoxymethane;methyl prop-2-enoate (CID 18352038) is methoxymethane;methyl prop-2-enoate.
What is the SMILES notation for methoxymethane;methyl prop-2-enoate?
The canonical SMILES for methoxymethane;methyl prop-2-enoate is C=CC(=O)OC.COC.
What is the InChIKey of methoxymethane;methyl prop-2-enoate?
The InChIKey is KBTAJPTUZHUSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C2H6O/c1-3-4(5)6-2;1-3-2/h3H,1H2,2H3;1-2H3.
What are the key properties of methoxymethane;methyl prop-2-enoate?
methoxymethane;methyl prop-2-enoate has a molecular weight of 132.16 g/mol, XLogP of 0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;methyl prop-2-enoate is sourced from PubChem (CID 18352038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).