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

C6H11Cl2O3P — CID 12525125

IUPAC(Z)-1,2-dichloro-1-diethoxyphosphorylethene
SMILESCCOP(=O)(OCC)/C(Cl)=C/Cl
InChIInChI=1S/C6H11Cl2O3P/c1-3-10-12(9,11-4-2)6(8)5-7/h5H,3-4H2,1-2H3/b6-5+
InChIKeyVSCDEQKJARUAMJ-AATRIKPKSA-N
MW233.03 g/mol
LogP3.53
Rot. Bonds5

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

(Z)-1,2-dichloro-1-diethoxyphosphorylethene (PubChem CID 12525125) has the molecular formula C6H11Cl2O3P and a molecular weight of 233.03 g/mol. Its IUPAC name is (Z)-1,2-dichloro-1-diethoxyphosphorylethene.

Molecular Properties

Compound Name(Z)-1,2-dichloro-1-diethoxyphosphorylethene
PubChem CID12525125
Molecular FormulaC6H11Cl2O3P
Molecular Weight233.03 g/mol
Exact Mass231.98
IUPAC Name(Z)-1,2-dichloro-1-diethoxyphosphorylethene
SMILESCCOP(=O)(OCC)/C(Cl)=C/Cl
InChIInChI=1S/C6H11Cl2O3P/c1-3-10-12(9,11-4-2)6(8)5-7/h5H,3-4H2,1-2H3/b6-5+
InChIKeyVSCDEQKJARUAMJ-AATRIKPKSA-N
XLogP3.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.03
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-chloro-1-diethoxyphosphorylprop-1-ene
CID 10798622
1-chloro-1-diethoxyphosphorylethene
CID 11481045
bis(diethoxyphosphoryl)methanimine
CID 87803281
(E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene
CID 14115301
2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349
(Z)-1-chloro-2-diethoxyphosphoryl-1-ethoxyprop-1-ene
CID 23272868
1-chloroprop-1-en-2-yl diethyl phosphate
CID 23272667
(Z)-3-diethoxyphosphorylhept-2-ene
CID 101401796
1-chloro-2-[chloro(ethoxy)phosphoryl]oxyprop-1-ene
CID 23262846
2-diethoxyphosphorylprop-2-enal
CID 10888762
(E)-1-chloro-3-diethoxyphosphoryl-2-methylsulfanylprop-1-ene
CID 14788100
(E)-1,2-bis(diethoxyphosphoryl)prop-1-ene
CID 14294563

Frequently Asked Questions

What is the IUPAC name of (Z)-1,2-dichloro-1-diethoxyphosphorylethene?
The IUPAC name of (Z)-1,2-dichloro-1-diethoxyphosphorylethene (CID 12525125) is (Z)-1,2-dichloro-1-diethoxyphosphorylethene.
What is the SMILES notation for (Z)-1,2-dichloro-1-diethoxyphosphorylethene?
The canonical SMILES for (Z)-1,2-dichloro-1-diethoxyphosphorylethene is CCOP(=O)(OCC)/C(Cl)=C/Cl.
What is the InChIKey of (Z)-1,2-dichloro-1-diethoxyphosphorylethene?
The InChIKey is VSCDEQKJARUAMJ-AATRIKPKSA-N. The full InChI is InChI=1S/C6H11Cl2O3P/c1-3-10-12(9,11-4-2)6(8)5-7/h5H,3-4H2,1-2H3/b6-5+.
What are the key properties of (Z)-1,2-dichloro-1-diethoxyphosphorylethene?
(Z)-1,2-dichloro-1-diethoxyphosphorylethene has a molecular weight of 233.03 g/mol, XLogP of 3.53, 5 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-diethoxyphosphorylethene is sourced from PubChem (CID 12525125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).