1-chloro-1-diethoxyphosphorylethene

C6H12ClO3P — CID 11481045

IUPAC1-chloro-1-diethoxyphosphorylethene
SMILESC=C(Cl)P(=O)(OCC)OCC
InChIInChI=1S/C6H12ClO3P/c1-4-9-11(8,6(3)7)10-5-2/h3-5H2,1-2H3
InChIKeyDBLMJFJENHZALD-UHFFFAOYSA-N
MW198.59 g/mol
LogP2.96
Rot. Bonds5

About 1-chloro-1-diethoxyphosphorylethene

1-chloro-1-diethoxyphosphorylethene (PubChem CID 11481045) has the molecular formula C6H12ClO3P and a molecular weight of 198.59 g/mol. Its IUPAC name is 1-chloro-1-diethoxyphosphorylethene.

Molecular Properties

Compound Name1-chloro-1-diethoxyphosphorylethene
PubChem CID11481045
Molecular FormulaC6H12ClO3P
Molecular Weight198.59 g/mol
Exact Mass198.02
IUPAC Name1-chloro-1-diethoxyphosphorylethene
SMILESC=C(Cl)P(=O)(OCC)OCC
InChIInChI=1S/C6H12ClO3P/c1-4-9-11(8,6(3)7)10-5-2/h3-5H2,1-2H3
InChIKeyDBLMJFJENHZALD-UHFFFAOYSA-N
XLogP2.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.59
LogP ≤ 52.96
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)-1,2-dichloro-1-diethoxyphosphorylethene
CID 12525125
2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349
(Z)-1-chloro-1-diethoxyphosphorylprop-1-ene
CID 10798622
2-diethoxyphosphorylprop-2-enal
CID 10888762
2-diethoxyphosphorylpent-1-ene
CID 11844671
bis(diethoxyphosphoryl)methanimine
CID 87803281
(E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene
CID 14115301
(Z)-1-chloro-2-diethoxyphosphoryl-1-ethoxyprop-1-ene
CID 23272868
ethoxy-[1-[ethoxy(hydroxy)phosphoryl]ethenyl]phosphinic acid
CID 101374265
1-chloro-4-(1-diethoxyphosphorylethenyl)benzene
CID 102104724
1,1-dichloro-2-diethoxyphosphoryl-2-isocyanatoethene
CID 13071028
ethyl (E)-3-chloro-3-diethoxyphosphoryl-2-hydroxyprop-2-enoate
CID 13428132

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-diethoxyphosphorylethene?
The IUPAC name of 1-chloro-1-diethoxyphosphorylethene (CID 11481045) is 1-chloro-1-diethoxyphosphorylethene.
What is the SMILES notation for 1-chloro-1-diethoxyphosphorylethene?
The canonical SMILES for 1-chloro-1-diethoxyphosphorylethene is C=C(Cl)P(=O)(OCC)OCC.
What is the InChIKey of 1-chloro-1-diethoxyphosphorylethene?
The InChIKey is DBLMJFJENHZALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClO3P/c1-4-9-11(8,6(3)7)10-5-2/h3-5H2,1-2H3.
What are the key properties of 1-chloro-1-diethoxyphosphorylethene?
1-chloro-1-diethoxyphosphorylethene has a molecular weight of 198.59 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-diethoxyphosphorylethene is sourced from PubChem (CID 11481045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).