1-chloroprop-1-en-2-yl diethyl phosphate

C7H14ClO4P — CID 23272667

IUPAC1-chloroprop-1-en-2-yl diethyl phosphate
SMILESCCOP(=O)(OCC)OC(C)=CCl
InChIInChI=1S/C7H14ClO4P/c1-4-10-13(9,11-5-2)12-7(3)6-8/h6H,4-5H2,1-3H3
InChIKeyJXVIVVXOENZARL-UHFFFAOYSA-N
MW228.61 g/mol
LogP3.28
Rot. Bonds6

About 1-chloroprop-1-en-2-yl diethyl phosphate

1-chloroprop-1-en-2-yl diethyl phosphate (PubChem CID 23272667) has the molecular formula C7H14ClO4P and a molecular weight of 228.61 g/mol. Its IUPAC name is 1-chloroprop-1-en-2-yl diethyl phosphate.

Molecular Properties

Compound Name1-chloroprop-1-en-2-yl diethyl phosphate
PubChem CID23272667
Molecular FormulaC7H14ClO4P
Molecular Weight228.61 g/mol
Exact Mass228.03
IUPAC Name1-chloroprop-1-en-2-yl diethyl phosphate
SMILESCCOP(=O)(OCC)OC(C)=CCl
InChIInChI=1S/C7H14ClO4P/c1-4-10-13(9,11-5-2)12-7(3)6-8/h6H,4-5H2,1-3H3
InChIKeyJXVIVVXOENZARL-UHFFFAOYSA-N
XLogP3.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.61
LogP ≤ 53.28
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-2-[chloro(ethoxy)phosphoryl]oxyprop-1-ene
CID 23262846
[(E)-2-diethoxyphosphoryloxyprop-1-enyl] acetate
CID 23269188
ethyl 3-diethoxyphosphoryloxybut-2-enoate
CID 21883
acetic acid;triethyl phosphate
CID 161446956
diethyl 1-phenylsulfanylprop-1-en-2-yl phosphate
CID 71351687
(Z)-1,2-dichloro-1-diethoxyphosphorylethene
CID 12525125
[(E)-2-chloro-1-(3,4-dichlorophenyl)ethenyl] diethyl phosphate
CID 6445634
[(1E)-4,4-dichloro-1-methoxybuta-1,3-dienyl] diethyl phosphate
CID 7241710
diethoxyphosphoryl 2,2-dimethylpropanoate
CID 131858368
diethyl 1-(2-methylprop-2-enoxy)ethenyl phosphate
CID 134893930
[(E)-1,3-dichloroprop-1-en-2-yl] dipropyl phosphate
CID 15584602
[2,2-dichloro-1-(1-chloroethoxy)ethenyl] diethyl phosphate
CID 54308055

Frequently Asked Questions

What is the IUPAC name of 1-chloroprop-1-en-2-yl diethyl phosphate?
The IUPAC name of 1-chloroprop-1-en-2-yl diethyl phosphate (CID 23272667) is 1-chloroprop-1-en-2-yl diethyl phosphate.
What is the SMILES notation for 1-chloroprop-1-en-2-yl diethyl phosphate?
The canonical SMILES for 1-chloroprop-1-en-2-yl diethyl phosphate is CCOP(=O)(OCC)OC(C)=CCl.
What is the InChIKey of 1-chloroprop-1-en-2-yl diethyl phosphate?
The InChIKey is JXVIVVXOENZARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClO4P/c1-4-10-13(9,11-5-2)12-7(3)6-8/h6H,4-5H2,1-3H3.
What are the key properties of 1-chloroprop-1-en-2-yl diethyl phosphate?
1-chloroprop-1-en-2-yl diethyl phosphate has a molecular weight of 228.61 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroprop-1-en-2-yl diethyl phosphate is sourced from PubChem (CID 23272667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).