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

C4H7Cl2O3P — CID 12525123

IUPAC(Z)-1,2-dichloro-1-dimethoxyphosphorylethene
SMILESCOP(=O)(OC)/C(Cl)=C/Cl
InChIInChI=1S/C4H7Cl2O3P/c1-8-10(7,9-2)4(6)3-5/h3H,1-2H3/b4-3+
InChIKeyLRUSVAKXTCQVHR-ONEGZZNKSA-N
MW204.98 g/mol
LogP2.75
Rot. Bonds3

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

(Z)-1,2-dichloro-1-dimethoxyphosphorylethene (PubChem CID 12525123) has the molecular formula C4H7Cl2O3P and a molecular weight of 204.98 g/mol. Its IUPAC name is (Z)-1,2-dichloro-1-dimethoxyphosphorylethene.

Molecular Properties

Compound Name(Z)-1,2-dichloro-1-dimethoxyphosphorylethene
PubChem CID12525123
Molecular FormulaC4H7Cl2O3P
Molecular Weight204.98 g/mol
Exact Mass203.95
IUPAC Name(Z)-1,2-dichloro-1-dimethoxyphosphorylethene
SMILESCOP(=O)(OC)/C(Cl)=C/Cl
InChIInChI=1S/C4H7Cl2O3P/c1-8-10(7,9-2)4(6)3-5/h3H,1-2H3/b4-3+
InChIKeyLRUSVAKXTCQVHR-ONEGZZNKSA-N
XLogP2.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.98
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,2-dichloro-1-dimethoxyphosphorylethene?
The IUPAC name of (Z)-1,2-dichloro-1-dimethoxyphosphorylethene (CID 12525123) is (Z)-1,2-dichloro-1-dimethoxyphosphorylethene.
What is the SMILES notation for (Z)-1,2-dichloro-1-dimethoxyphosphorylethene?
The canonical SMILES for (Z)-1,2-dichloro-1-dimethoxyphosphorylethene is COP(=O)(OC)/C(Cl)=C/Cl.
What is the InChIKey of (Z)-1,2-dichloro-1-dimethoxyphosphorylethene?
The InChIKey is LRUSVAKXTCQVHR-ONEGZZNKSA-N. The full InChI is InChI=1S/C4H7Cl2O3P/c1-8-10(7,9-2)4(6)3-5/h3H,1-2H3/b4-3+.
What are the key properties of (Z)-1,2-dichloro-1-dimethoxyphosphorylethene?
(Z)-1,2-dichloro-1-dimethoxyphosphorylethene has a molecular weight of 204.98 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,2-dichloro-1-dimethoxyphosphorylethene is sourced from PubChem (CID 12525123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).