bis(3,4-dichlorobutoxy)-oxophosphanium

C8H14Cl4O3P+ — CID 87665958

IUPACbis(3,4-dichlorobutoxy)-oxophosphanium
SMILESO=[P+](OCCC(Cl)CCl)OCCC(Cl)CCl
InChIInChI=1S/C8H14Cl4O3P/c9-5-7(11)1-3-14-16(13)15-4-2-8(12)6-10/h7-8H,1-6H2/q+1
InChIKeyCFQYQXIKXUPWKS-UHFFFAOYSA-N
MW330.98 g/mol
LogP4.15
Rot. Bonds10

About bis(3,4-dichlorobutoxy)-oxophosphanium

bis(3,4-dichlorobutoxy)-oxophosphanium (PubChem CID 87665958) has the molecular formula C8H14Cl4O3P+ and a molecular weight of 330.98 g/mol. Its IUPAC name is bis(3,4-dichlorobutoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(3,4-dichlorobutoxy)-oxophosphanium
PubChem CID87665958
Molecular FormulaC8H14Cl4O3P+
Molecular Weight330.98 g/mol
Exact Mass328.94
IUPAC Namebis(3,4-dichlorobutoxy)-oxophosphanium
SMILESO=[P+](OCCC(Cl)CCl)OCCC(Cl)CCl
InChIInChI=1S/C8H14Cl4O3P/c9-5-7(11)1-3-14-16(13)15-4-2-8(12)6-10/h7-8H,1-6H2/q+1
InChIKeyCFQYQXIKXUPWKS-UHFFFAOYSA-N
XLogP4.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.98
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tris(2,3-dichloropropyl) phosphate
CID 6538
Tris(1,3-dichloropropyl)phosphate
CID 38388
Tris(3,3-dichloropropyl) phosphate
CID 22022738
Bis(4-chlorobutoxy)-oxophosphanium
CID 87665419
Tris(4-chlorobutyl) phosphate
CID 176453
1,2-Dichloro-3-[2,3-dichloropropoxy(2,3-dichloropropyl)phosphoryl]oxypropane
CID 87283175
1-Chlorobutyl dichlorophosphate
CID 14591284
Bis(2,3-dichloropropyl) phosphate
CID 19829552
1-Chloro-4-[4-chlorobutoxy(dichloromethyl)phosphoryl]oxybutane
CID 270845
1-Chloro-4-[methoxy(trichloromethyl)phosphoryl]oxybutane
CID 270850
Bis(2,3-dichloropropoxy)(oxo)phosphanium
CID 6330581
Tris(1,2-dichloropropyl) phosphate
CID 14944488

Frequently Asked Questions

What is the IUPAC name of bis(3,4-dichlorobutoxy)-oxophosphanium?
The IUPAC name of bis(3,4-dichlorobutoxy)-oxophosphanium (CID 87665958) is bis(3,4-dichlorobutoxy)-oxophosphanium.
What is the SMILES notation for bis(3,4-dichlorobutoxy)-oxophosphanium?
The canonical SMILES for bis(3,4-dichlorobutoxy)-oxophosphanium is O=[P+](OCCC(Cl)CCl)OCCC(Cl)CCl.
What is the InChIKey of bis(3,4-dichlorobutoxy)-oxophosphanium?
The InChIKey is CFQYQXIKXUPWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Cl4O3P/c9-5-7(11)1-3-14-16(13)15-4-2-8(12)6-10/h7-8H,1-6H2/q+1.
What are the key properties of bis(3,4-dichlorobutoxy)-oxophosphanium?
bis(3,4-dichlorobutoxy)-oxophosphanium has a molecular weight of 330.98 g/mol, XLogP of 4.15, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,4-dichlorobutoxy)-oxophosphanium is sourced from PubChem (CID 87665958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).