ethenyl acetate;methane

C5H10O2 — CID 23075256

IUPACethenyl acetate;methane
SMILESC.C=COC(C)=O
InChIInChI=1S/C4H6O2.CH4/c1-3-6-4(2)5;/h3H,1H2,2H3;1H4
InChIKeyHKRRVHCECYWIPJ-UHFFFAOYSA-N
MW102.13 g/mol
LogP1.33
Rot. Bonds1

About ethenyl acetate;methane

ethenyl acetate;methane (PubChem CID 23075256) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is ethenyl acetate;methane.

Molecular Properties

Compound Nameethenyl acetate;methane
PubChem CID23075256
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Nameethenyl acetate;methane
SMILESC.C=COC(C)=O
InChIInChI=1S/C4H6O2.CH4/c1-3-6-4(2)5;/h3H,1H2,2H3;1H4
InChIKeyHKRRVHCECYWIPJ-UHFFFAOYSA-N
XLogP1.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenyl acetate;methane?
The IUPAC name of ethenyl acetate;methane (CID 23075256) is ethenyl acetate;methane.
What is the SMILES notation for ethenyl acetate;methane?
The canonical SMILES for ethenyl acetate;methane is C.C=COC(C)=O.
What is the InChIKey of ethenyl acetate;methane?
The InChIKey is HKRRVHCECYWIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.CH4/c1-3-6-4(2)5;/h3H,1H2,2H3;1H4.
What are the key properties of ethenyl acetate;methane?
ethenyl acetate;methane has a molecular weight of 102.13 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl acetate;methane is sourced from PubChem (CID 23075256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).