chloro bis(prop-1-enyl) phosphate

C6H10ClO4P — CID 130422739

IUPACchloro bis(prop-1-enyl) phosphate
SMILESCC=COP(=O)(OCl)OC=CC
InChIInChI=1S/C6H10ClO4P/c1-3-5-9-12(8,11-7)10-6-4-2/h3-6H,1-2H3
InChIKeyKOQITSSAPJOKAH-UHFFFAOYSA-N
MW212.57 g/mol
LogP3.37
Rot. Bonds5

About chloro bis(prop-1-enyl) phosphate

chloro bis(prop-1-enyl) phosphate (PubChem CID 130422739) has the molecular formula C6H10ClO4P and a molecular weight of 212.57 g/mol. Its IUPAC name is chloro bis(prop-1-enyl) phosphate.

Molecular Properties

Compound Namechloro bis(prop-1-enyl) phosphate
PubChem CID130422739
Molecular FormulaC6H10ClO4P
Molecular Weight212.57 g/mol
Exact Mass212.00
IUPAC Namechloro bis(prop-1-enyl) phosphate
SMILESCC=COP(=O)(OCl)OC=CC
InChIInChI=1S/C6H10ClO4P/c1-3-5-9-12(8,11-7)10-6-4-2/h3-6H,1-2H3
InChIKeyKOQITSSAPJOKAH-UHFFFAOYSA-N
XLogP3.37
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.57
LogP ≤ 53.37
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

difluoro prop-1-enyl phosphate
CID 130422600
1-difluorophosphoryloxyprop-1-ene
CID 130422601
dilithium;prop-1-enyl phosphate
CID 177307945
methyl(prop-1-enoxy)phosphinic acid
CID 154509834
dibutyl [(E)-prop-1-enyl] phosphate
CID 5372398
1-[bromo(fluoro)phosphoryl]oxyprop-1-ene
CID 130422658
tris[(E)-2-chloroethenyl] phosphate
CID 88804687
[3-bis(prop-1-enoxy)phosphoryl-2,2-dimethylpropyl]phosphonic acid
CID 54278040
[(Z)-2-bromoethenyl] dimethyl phosphate
CID 23271305
prop-1-enyl propyl hydrogen phosphate
CID 87732909
tris(2-prop-1-enoxyethyl) phosphate
CID 150385672
2-chloroethenyl dipropan-2-yl phosphate
CID 54160652

Frequently Asked Questions

What is the IUPAC name of chloro bis(prop-1-enyl) phosphate?
The IUPAC name of chloro bis(prop-1-enyl) phosphate (CID 130422739) is chloro bis(prop-1-enyl) phosphate.
What is the SMILES notation for chloro bis(prop-1-enyl) phosphate?
The canonical SMILES for chloro bis(prop-1-enyl) phosphate is CC=COP(=O)(OCl)OC=CC.
What is the InChIKey of chloro bis(prop-1-enyl) phosphate?
The InChIKey is KOQITSSAPJOKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClO4P/c1-3-5-9-12(8,11-7)10-6-4-2/h3-6H,1-2H3.
What are the key properties of chloro bis(prop-1-enyl) phosphate?
chloro bis(prop-1-enyl) phosphate has a molecular weight of 212.57 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro bis(prop-1-enyl) phosphate is sourced from PubChem (CID 130422739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).