ethenyl acetate;ethenyl formate

C7H10O4 — CID 19370025

IUPACethenyl acetate;ethenyl formate
SMILESC=COC(C)=O.C=COC=O
InChIInChI=1S/C4H6O2.C3H4O2/c1-3-6-4(2)5;1-2-5-3-4/h3H,1H2,2H3;2-3H,1H2
InChIKeyLYHCOBYKYDPAKA-UHFFFAOYSA-N
MW158.15 g/mol
LogP1.00
Rot. Bonds3

About ethenyl acetate;ethenyl formate

ethenyl acetate;ethenyl formate (PubChem CID 19370025) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is ethenyl acetate;ethenyl formate.

Molecular Properties

Compound Nameethenyl acetate;ethenyl formate
PubChem CID19370025
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Nameethenyl acetate;ethenyl formate
SMILESC=COC(C)=O.C=COC=O
InChIInChI=1S/C4H6O2.C3H4O2/c1-3-6-4(2)5;1-2-5-3-4/h3H,1H2,2H3;2-3H,1H2
InChIKeyLYHCOBYKYDPAKA-UHFFFAOYSA-N
XLogP1.00
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethenyl acetate
CID 7904
ethenyl acetate;formic acid
CID 175608061
ethene;ethenyl acetate;hydrofluoride
CID 158693082
ethenyl acetate;methoxyethene
CID 18921270
CID 22321303
CID 22321303
ethanol;ethenyl acetate
CID 87099759
carbonofluoridic acid;ethenyl acetate
CID 157176220
ethenyl acetate;oxalonitrile
CID 174923759
dichloromethane;ethenyl acetate
CID 86614662
bis((Z)-but-2-enedioic acid);ethenyl acetate
CID 172778933
acetic acid;acetyl acetate;ethenyl acetate
CID 158501483
(Z)-but-2-enedioic acid;ethene;ethenyl acetate
CID 174897820

Frequently Asked Questions

What is the IUPAC name of ethenyl acetate;ethenyl formate?
The IUPAC name of ethenyl acetate;ethenyl formate (CID 19370025) is ethenyl acetate;ethenyl formate.
What is the SMILES notation for ethenyl acetate;ethenyl formate?
The canonical SMILES for ethenyl acetate;ethenyl formate is C=COC(C)=O.C=COC=O.
What is the InChIKey of ethenyl acetate;ethenyl formate?
The InChIKey is LYHCOBYKYDPAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C3H4O2/c1-3-6-4(2)5;1-2-5-3-4/h3H,1H2,2H3;2-3H,1H2.
What are the key properties of ethenyl acetate;ethenyl formate?
ethenyl acetate;ethenyl formate has a molecular weight of 158.15 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl acetate;ethenyl formate is sourced from PubChem (CID 19370025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).