tris(1-chloropropan-2-yl) phosphite

C9H18Cl3O3P — CID 54036973

IUPACtris(1-chloropropan-2-yl) phosphite
SMILESCC(CCl)OP(OC(C)CCl)OC(C)CCl
InChIInChI=1S/C9H18Cl3O3P/c1-7(4-10)13-16(14-8(2)5-11)15-9(3)6-12/h7-9H,4-6H2,1-3H3
InChIKeyLJQKYYDOTWAJFX-UHFFFAOYSA-N
MW311.57 g/mol
LogP4.14
Rot. Bonds9

About tris(1-chloropropan-2-yl) phosphite

tris(1-chloropropan-2-yl) phosphite (PubChem CID 54036973) has the molecular formula C9H18Cl3O3P and a molecular weight of 311.57 g/mol. Its IUPAC name is tris(1-chloropropan-2-yl) phosphite.

Molecular Properties

Compound Nametris(1-chloropropan-2-yl) phosphite
PubChem CID54036973
Molecular FormulaC9H18Cl3O3P
Molecular Weight311.57 g/mol
Exact Mass310.01
IUPAC Nametris(1-chloropropan-2-yl) phosphite
SMILESCC(CCl)OP(OC(C)CCl)OC(C)CCl
InChIInChI=1S/C9H18Cl3O3P/c1-7(4-10)13-16(14-8(2)5-11)15-9(3)6-12/h7-9H,4-6H2,1-3H3
InChIKeyLJQKYYDOTWAJFX-UHFFFAOYSA-N
XLogP4.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.57
LogP ≤ 54.14
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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Frequently Asked Questions

What is the IUPAC name of tris(1-chloropropan-2-yl) phosphite?
The IUPAC name of tris(1-chloropropan-2-yl) phosphite (CID 54036973) is tris(1-chloropropan-2-yl) phosphite.
What is the SMILES notation for tris(1-chloropropan-2-yl) phosphite?
The canonical SMILES for tris(1-chloropropan-2-yl) phosphite is CC(CCl)OP(OC(C)CCl)OC(C)CCl.
What is the InChIKey of tris(1-chloropropan-2-yl) phosphite?
The InChIKey is LJQKYYDOTWAJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18Cl3O3P/c1-7(4-10)13-16(14-8(2)5-11)15-9(3)6-12/h7-9H,4-6H2,1-3H3.
What are the key properties of tris(1-chloropropan-2-yl) phosphite?
tris(1-chloropropan-2-yl) phosphite has a molecular weight of 311.57 g/mol, XLogP of 4.14, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-chloropropan-2-yl) phosphite is sourced from PubChem (CID 54036973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).