(Z)-1-chloro-2-diethoxyphosphoryl-1-ethoxyprop-1-ene

C9H18ClO4P — CID 23272868

IUPAC(Z)-1-chloro-2-diethoxyphosphoryl-1-ethoxyprop-1-ene
SMILESCCO/C(Cl)=C(\C)P(=O)(OCC)OCC
InChIInChI=1S/C9H18ClO4P/c1-5-12-9(10)8(4)15(11,13-6-2)14-7-3/h5-7H2,1-4H3/b9-8+
InChIKeyWFSINLGXZFTAHT-CMDGGOBGSA-N
MW256.67 g/mol
LogP3.72
Rot. Bonds7

About (Z)-1-chloro-2-diethoxyphosphoryl-1-ethoxyprop-1-ene

(Z)-1-chloro-2-diethoxyphosphoryl-1-ethoxyprop-1-ene (PubChem CID 23272868) has the molecular formula C9H18ClO4P and a molecular weight of 256.67 g/mol. Its IUPAC name is (Z)-1-chloro-2-diethoxyphosphoryl-1-ethoxyprop-1-ene.

Molecular Properties

Compound Name(Z)-1-chloro-2-diethoxyphosphoryl-1-ethoxyprop-1-ene
PubChem CID23272868
Molecular FormulaC9H18ClO4P
Molecular Weight256.67 g/mol
Exact Mass256.06
IUPAC Name(Z)-1-chloro-2-diethoxyphosphoryl-1-ethoxyprop-1-ene
SMILESCCO/C(Cl)=C(\C)P(=O)(OCC)OCC
InChIInChI=1S/C9H18ClO4P/c1-5-12-9(10)8(4)15(11,13-6-2)14-7-3/h5-7H2,1-4H3/b9-8+
InChIKeyWFSINLGXZFTAHT-CMDGGOBGSA-N
XLogP3.72
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.67
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-1-diethoxyphosphorylethene
CID 11481045
(Z)-1-chloro-1-diethoxyphosphorylprop-1-ene
CID 10798622
ethyl (E)-3-chloro-3-diethoxyphosphoryl-2-hydroxyprop-2-enoate
CID 13428132
(Z)-1,2-dichloro-1-diethoxyphosphorylethene
CID 12525125
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)-3-diethoxyphosphoryl-4-hydroxybut-3-en-2-one
CID 134922864
(E)-2-diethoxyphosphoryl-1-ethoxy-2-fluoroethenolate
CID 134863006
ethyl N-[bis(diethoxyphosphoryl)methylidene]carbamate
CID 134917403
(E)-4-diethoxyphosphorylpent-3-en-2-one
CID 12505979
(E)-1,2-bis(diethoxyphosphoryl)prop-1-ene
CID 14294563

Frequently Asked Questions

What is the IUPAC name of (Z)-1-chloro-2-diethoxyphosphoryl-1-ethoxyprop-1-ene?
The IUPAC name of (Z)-1-chloro-2-diethoxyphosphoryl-1-ethoxyprop-1-ene (CID 23272868) is (Z)-1-chloro-2-diethoxyphosphoryl-1-ethoxyprop-1-ene.
What is the SMILES notation for (Z)-1-chloro-2-diethoxyphosphoryl-1-ethoxyprop-1-ene?
The canonical SMILES for (Z)-1-chloro-2-diethoxyphosphoryl-1-ethoxyprop-1-ene is CCO/C(Cl)=C(\C)P(=O)(OCC)OCC.
What is the InChIKey of (Z)-1-chloro-2-diethoxyphosphoryl-1-ethoxyprop-1-ene?
The InChIKey is WFSINLGXZFTAHT-CMDGGOBGSA-N. The full InChI is InChI=1S/C9H18ClO4P/c1-5-12-9(10)8(4)15(11,13-6-2)14-7-3/h5-7H2,1-4H3/b9-8+.
What are the key properties of (Z)-1-chloro-2-diethoxyphosphoryl-1-ethoxyprop-1-ene?
(Z)-1-chloro-2-diethoxyphosphoryl-1-ethoxyprop-1-ene has a molecular weight of 256.67 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-chloro-2-diethoxyphosphoryl-1-ethoxyprop-1-ene is sourced from PubChem (CID 23272868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).