(Z)-1,2-dichloro-1-methoxyethene

C3H4Cl2O — CID 58234914

IUPAC(Z)-1,2-dichloro-1-methoxyethene
SMILESCO/C(Cl)=C/Cl
InChIInChI=1S/C3H4Cl2O/c1-6-3(5)2-4/h2H,1H3/b3-2+
InChIKeyRFPWKACYPUAOIP-NSCUHMNNSA-N
MW126.97 g/mol
LogP1.91
Rot. Bonds1

About (Z)-1,2-dichloro-1-methoxyethene

(Z)-1,2-dichloro-1-methoxyethene (PubChem CID 58234914) has the molecular formula C3H4Cl2O and a molecular weight of 126.97 g/mol. Its IUPAC name is (Z)-1,2-dichloro-1-methoxyethene.

Molecular Properties

Compound Name(Z)-1,2-dichloro-1-methoxyethene
PubChem CID58234914
Molecular FormulaC3H4Cl2O
Molecular Weight126.97 g/mol
Exact Mass125.96
IUPAC Name(Z)-1,2-dichloro-1-methoxyethene
SMILESCO/C(Cl)=C/Cl
InChIInChI=1S/C3H4Cl2O/c1-6-3(5)2-4/h2H,1H3/b3-2+
InChIKeyRFPWKACYPUAOIP-NSCUHMNNSA-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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Frequently Asked Questions

What is the IUPAC name of (Z)-1,2-dichloro-1-methoxyethene?
The IUPAC name of (Z)-1,2-dichloro-1-methoxyethene (CID 58234914) is (Z)-1,2-dichloro-1-methoxyethene.
What is the SMILES notation for (Z)-1,2-dichloro-1-methoxyethene?
The canonical SMILES for (Z)-1,2-dichloro-1-methoxyethene is CO/C(Cl)=C/Cl.
What is the InChIKey of (Z)-1,2-dichloro-1-methoxyethene?
The InChIKey is RFPWKACYPUAOIP-NSCUHMNNSA-N. The full InChI is InChI=1S/C3H4Cl2O/c1-6-3(5)2-4/h2H,1H3/b3-2+.
What are the key properties of (Z)-1,2-dichloro-1-methoxyethene?
(Z)-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 (Z)-1,2-dichloro-1-methoxyethene is sourced from PubChem (CID 58234914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).