1,2-dichloro-1-methoxyethene

C3H4Cl2O — CID 76710565

IUPAC1,2-dichloro-1-methoxyethene
SMILESCOC(Cl)=CCl
InChIInChI=1S/C3H4Cl2O/c1-6-3(5)2-4/h2H,1H3
InChIKeyRFPWKACYPUAOIP-UHFFFAOYSA-N
MW126.97 g/mol
LogP1.91
Rot. Bonds1

About 1,2-dichloro-1-methoxyethene

1,2-dichloro-1-methoxyethene (PubChem CID 76710565) has the molecular formula C3H4Cl2O and a molecular weight of 126.97 g/mol. Its IUPAC name is 1,2-dichloro-1-methoxyethene.

Molecular Properties

Compound Name1,2-dichloro-1-methoxyethene
PubChem CID76710565
Molecular FormulaC3H4Cl2O
Molecular Weight126.97 g/mol
Exact Mass125.96
IUPAC Name1,2-dichloro-1-methoxyethene
SMILESCOC(Cl)=CCl
InChIInChI=1S/C3H4Cl2O/c1-6-3(5)2-4/h2H,1H3
InChIKeyRFPWKACYPUAOIP-UHFFFAOYSA-N
XLogP1.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.97
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cis-1,2-Dichloro-1-ethoxy-ethene
CID 13709495
Methoxychlor ethylene
CID 20553412
1-Chloro-2-methoxyethylene
CID 6365380
1,2-Dichloro-1-ethoxyethene
CID 53440473
(Z)-2-chloro-1-fluoro-1-methoxyethene
CID 133671587
1-Chloro-2-methoxyethene
CID 3015717
(Z)-1,2-dichloro-1-methoxyethene
CID 58234914
(E)-1,2-dichloro-1-methoxyethene
CID 15365828
(E)-1,2-dichloro-1-ethoxyethene
CID 55250388
chloro-[(E)-2-chloro-2-methoxyethenyl]mercury
CID 134988444
1-Chloro-2-methoxyethene;yttrium
CID 59985221
1-Chloro-1-(1-chloroethenoxy)ethane
CID 89186659

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-1-methoxyethene?
The IUPAC name of 1,2-dichloro-1-methoxyethene (CID 76710565) is 1,2-dichloro-1-methoxyethene.
What is the SMILES notation for 1,2-dichloro-1-methoxyethene?
The canonical SMILES for 1,2-dichloro-1-methoxyethene is COC(Cl)=CCl.
What is the InChIKey of 1,2-dichloro-1-methoxyethene?
The InChIKey is RFPWKACYPUAOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Cl2O/c1-6-3(5)2-4/h2H,1H3.
What are the key properties of 1,2-dichloro-1-methoxyethene?
1,2-dichloro-1-methoxyethene has a molecular weight of 126.97 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-1-methoxyethene is sourced from PubChem (CID 76710565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).