2-chloroprop-2-enyl diethyl phosphate

C7H14ClO4P — CID 117059442

IUPAC2-chloroprop-2-enyl diethyl phosphate
SMILESC=C(Cl)COP(=O)(OCC)OCC
InChIInChI=1S/C7H14ClO4P/c1-4-10-13(9,11-5-2)12-6-7(3)8/h3-6H2,1-2H3
InChIKeyUWCFTVNGJAQCPR-UHFFFAOYSA-N
MW228.61 g/mol
LogP2.94
Rot. Bonds7

About 2-chloroprop-2-enyl diethyl phosphate

2-chloroprop-2-enyl diethyl phosphate (PubChem CID 117059442) has the molecular formula C7H14ClO4P and a molecular weight of 228.61 g/mol. Its IUPAC name is 2-chloroprop-2-enyl diethyl phosphate.

Molecular Properties

Compound Name2-chloroprop-2-enyl diethyl phosphate
PubChem CID117059442
Molecular FormulaC7H14ClO4P
Molecular Weight228.61 g/mol
Exact Mass228.03
IUPAC Name2-chloroprop-2-enyl diethyl phosphate
SMILESC=C(Cl)COP(=O)(OCC)OCC
InChIInChI=1S/C7H14ClO4P/c1-4-10-13(9,11-5-2)12-6-7(3)8/h3-6H2,1-2H3
InChIKeyUWCFTVNGJAQCPR-UHFFFAOYSA-N
XLogP2.94
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.61
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 129809081
CID 129809081
CID 4490727
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CID 23262834
CID 23262834
CID 23272667
CID 23272667
CID 54442450
CID 54442450
CID 54493184
CID 54493184
CID 88471518
CID 88471518
CID 88638572
CID 88638572
CID 88760740
CID 88760740
CID 88761534
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CID 88842617
CID 88842617

Frequently Asked Questions

What is the IUPAC name of 2-chloroprop-2-enyl diethyl phosphate?
The IUPAC name of 2-chloroprop-2-enyl diethyl phosphate (CID 117059442) is 2-chloroprop-2-enyl diethyl phosphate.
What is the SMILES notation for 2-chloroprop-2-enyl diethyl phosphate?
The canonical SMILES for 2-chloroprop-2-enyl diethyl phosphate is C=C(Cl)COP(=O)(OCC)OCC.
What is the InChIKey of 2-chloroprop-2-enyl diethyl phosphate?
The InChIKey is UWCFTVNGJAQCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClO4P/c1-4-10-13(9,11-5-2)12-6-7(3)8/h3-6H2,1-2H3.
What are the key properties of 2-chloroprop-2-enyl diethyl phosphate?
2-chloroprop-2-enyl diethyl phosphate has a molecular weight of 228.61 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroprop-2-enyl diethyl phosphate is sourced from PubChem (CID 117059442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).