dichloromethane;ethenyl acetate

C5H8Cl2O2 — CID 86614662

IUPACdichloromethane;ethenyl acetate
SMILESC=COC(C)=O.ClCCl
InChIInChI=1S/C4H6O2.CH2Cl2/c1-3-6-4(2)5;2-1-3/h3H,1H2,2H3;1H2
InChIKeyLBFQRRCJZWXVNE-UHFFFAOYSA-N
MW171.02 g/mol
LogP2.11
Rot. Bonds1

About dichloromethane;ethenyl acetate

dichloromethane;ethenyl acetate (PubChem CID 86614662) has the molecular formula C5H8Cl2O2 and a molecular weight of 171.02 g/mol. Its IUPAC name is dichloromethane;ethenyl acetate.

Molecular Properties

Compound Namedichloromethane;ethenyl acetate
PubChem CID86614662
Molecular FormulaC5H8Cl2O2
Molecular Weight171.02 g/mol
Exact Mass169.99
IUPAC Namedichloromethane;ethenyl acetate
SMILESC=COC(C)=O.ClCCl
InChIInChI=1S/C4H6O2.CH2Cl2/c1-3-6-4(2)5;2-1-3/h3H,1H2,2H3;1H2
InChIKeyLBFQRRCJZWXVNE-UHFFFAOYSA-N
XLogP2.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.02
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethenyl acetate
CID 7904
ethanol;ethenyl acetate
CID 87099759
ethene;ethenyl acetate;hydrofluoride
CID 158693082
ethenyl acetate;formic acid
CID 175608061
ethenyl acetate;methoxyethene
CID 18921270
CID 22321303
CID 22321303
carbonofluoridic acid;ethenyl acetate
CID 157176220
ethenyl acetate;oxalonitrile
CID 174923759
2,2-dichloroacetic acid;ethenyl acetate
CID 159202527
ethenyl acetate;octadecane
CID 161470611
ethenyl acetate;heptane
CID 19104449
bis((Z)-but-2-enedioic acid);ethenyl acetate
CID 172778933

Frequently Asked Questions

What is the IUPAC name of dichloromethane;ethenyl acetate?
The IUPAC name of dichloromethane;ethenyl acetate (CID 86614662) is dichloromethane;ethenyl acetate.
What is the SMILES notation for dichloromethane;ethenyl acetate?
The canonical SMILES for dichloromethane;ethenyl acetate is C=COC(C)=O.ClCCl.
What is the InChIKey of dichloromethane;ethenyl acetate?
The InChIKey is LBFQRRCJZWXVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.CH2Cl2/c1-3-6-4(2)5;2-1-3/h3H,1H2,2H3;1H2.
What are the key properties of dichloromethane;ethenyl acetate?
dichloromethane;ethenyl acetate has a molecular weight of 171.02 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;ethenyl acetate is sourced from PubChem (CID 86614662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).