dihydroxy(oxo)phosphanium;1,3,5-trichloro-3-methylpentane

C6H13Cl3O3P+ — CID 158600655

IUPACdihydroxy(oxo)phosphanium;1,3,5-trichloro-3-methylpentane
SMILESCC(Cl)(CCCl)CCCl.O=[P+](O)O
InChIInChI=1S/C6H11Cl3.HO3P/c1-6(9,2-4-7)3-5-8;1-4(2)3/h2-5H2,1H3;(H-,1,2,3)/p+1
InChIKeyRIXLDVQNCDYXKY-UHFFFAOYSA-O
MW270.50 g/mol
LogP2.87
Rot. Bonds4

About dihydroxy(oxo)phosphanium;1,3,5-trichloro-3-methylpentane

dihydroxy(oxo)phosphanium;1,3,5-trichloro-3-methylpentane (PubChem CID 158600655) has the molecular formula C6H13Cl3O3P+ and a molecular weight of 270.50 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;1,3,5-trichloro-3-methylpentane.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;1,3,5-trichloro-3-methylpentane
PubChem CID158600655
Molecular FormulaC6H13Cl3O3P+
Molecular Weight270.50 g/mol
Exact Mass268.97
IUPAC Namedihydroxy(oxo)phosphanium;1,3,5-trichloro-3-methylpentane
SMILESCC(Cl)(CCCl)CCCl.O=[P+](O)O
InChIInChI=1S/C6H11Cl3.HO3P/c1-6(9,2-4-7)3-5-8;1-4(2)3/h2-5H2,1H3;(H-,1,2,3)/p+1
InChIKeyRIXLDVQNCDYXKY-UHFFFAOYSA-O
XLogP2.87
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-bis(hydroxymethyl)propane-1,3-diol;chloroethane;dihydroxy(oxo)phosphanium
CID 88829680
1,6-dichloro-3,4-bis(2-chloroethyl)hex-3-ene;bis(dihydroxy(oxo)phosphanium)
CID 160800513
tris(dihydroxy(oxo)phosphanium);propane
CID 159543377
hydroxy-oxo-sulfanylphosphanium;1,1,1-trichloro-2-methylpropan-2-ol
CID 158091534
3-bromo-3-methylpentane;dihydroxy(oxo)phosphanium
CID 159355693
1-chloro-3-methylpentan-3-ol
CID 537896
5-chloro-3,3-dimethylpentan-1-ol
CID 139625644
1,1,1,3-tetrachloropropane;trichloroalumane
CID 174769747
2,2-dimethylpropyl-hydroxy-oxophosphanium
CID 89268152
bis[2,4-dichloro-2-(2-chloroethyl)butoxy]-oxophosphanium
CID 57165059
6-chloro-2,4,4-trimethylhexan-2-ol
CID 88929339
dihydroxy(oxo)phosphanium;(1,1,1-trichloro-2-methylpropan-2-yl) acetate
CID 157067106

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;1,3,5-trichloro-3-methylpentane?
The IUPAC name of dihydroxy(oxo)phosphanium;1,3,5-trichloro-3-methylpentane (CID 158600655) is dihydroxy(oxo)phosphanium;1,3,5-trichloro-3-methylpentane.
What is the SMILES notation for dihydroxy(oxo)phosphanium;1,3,5-trichloro-3-methylpentane?
The canonical SMILES for dihydroxy(oxo)phosphanium;1,3,5-trichloro-3-methylpentane is CC(Cl)(CCCl)CCCl.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;1,3,5-trichloro-3-methylpentane?
The InChIKey is RIXLDVQNCDYXKY-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H11Cl3.HO3P/c1-6(9,2-4-7)3-5-8;1-4(2)3/h2-5H2,1H3;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;1,3,5-trichloro-3-methylpentane?
dihydroxy(oxo)phosphanium;1,3,5-trichloro-3-methylpentane has a molecular weight of 270.50 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;1,3,5-trichloro-3-methylpentane is sourced from PubChem (CID 158600655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).