2-[2,2-bis(chloromethyl)-3-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]propoxy]-5,5-dimethyl-1,3,2-dioxaphosphinane

C15H28Cl2O6P2 — CID 143058585

IUPAC2-[2,2-bis(chloromethyl)-3-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]propoxy]-5,5-dimethyl-1,3,2-dioxaphosphinane
SMILESCC1(C)COP(OCC(CCl)(CCl)COP2OCC(C)(C)CO2)OC1
InChIInChI=1S/C15H28Cl2O6P2/c1-13(2)7-18-24(19-8-13)22-11-15(5-16,6-17)12-23-25-20-9-14(3,4)10-21-25/h5-12H2,1-4H3
InChIKeyMNMGHNSVFUXCRH-UHFFFAOYSA-N
MW437.24 g/mol
LogP5.08
Rot. Bonds8

About 2-[2,2-bis(chloromethyl)-3-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]propoxy]-5,5-dimethyl-1,3,2-dioxaphosphinane

2-[2,2-bis(chloromethyl)-3-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]propoxy]-5,5-dimethyl-1,3,2-dioxaphosphinane (PubChem CID 143058585) has the molecular formula C15H28Cl2O6P2 and a molecular weight of 437.24 g/mol. Its IUPAC name is 2-[2,2-bis(chloromethyl)-3-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]propoxy]-5,5-dimethyl-1,3,2-dioxaphosphinane.

Molecular Properties

Compound Name2-[2,2-bis(chloromethyl)-3-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]propoxy]-5,5-dimethyl-1,3,2-dioxaphosphinane
PubChem CID143058585
Molecular FormulaC15H28Cl2O6P2
Molecular Weight437.24 g/mol
Exact Mass436.07
IUPAC Name2-[2,2-bis(chloromethyl)-3-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]propoxy]-5,5-dimethyl-1,3,2-dioxaphosphinane
SMILESCC1(C)COP(OCC(CCl)(CCl)COP2OCC(C)(C)CO2)OC1
InChIInChI=1S/C15H28Cl2O6P2/c1-13(2)7-18-24(19-8-13)22-11-15(5-16,6-17)12-23-25-20-9-14(3,4)10-21-25/h5-12H2,1-4H3
InChIKeyMNMGHNSVFUXCRH-UHFFFAOYSA-N
XLogP5.08
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.24
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 2-[2,2-bis(chloromethyl)-3-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]propoxy]-5,5-dimethyl-1,3,2-dioxaphosphinane?
The IUPAC name of 2-[2,2-bis(chloromethyl)-3-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]propoxy]-5,5-dimethyl-1,3,2-dioxaphosphinane (CID 143058585) is 2-[2,2-bis(chloromethyl)-3-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]propoxy]-5,5-dimethyl-1,3,2-dioxaphosphinane.
What is the SMILES notation for 2-[2,2-bis(chloromethyl)-3-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]propoxy]-5,5-dimethyl-1,3,2-dioxaphosphinane?
The canonical SMILES for 2-[2,2-bis(chloromethyl)-3-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]propoxy]-5,5-dimethyl-1,3,2-dioxaphosphinane is CC1(C)COP(OCC(CCl)(CCl)COP2OCC(C)(C)CO2)OC1.
What is the InChIKey of 2-[2,2-bis(chloromethyl)-3-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]propoxy]-5,5-dimethyl-1,3,2-dioxaphosphinane?
The InChIKey is MNMGHNSVFUXCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28Cl2O6P2/c1-13(2)7-18-24(19-8-13)22-11-15(5-16,6-17)12-23-25-20-9-14(3,4)10-21-25/h5-12H2,1-4H3.
What are the key properties of 2-[2,2-bis(chloromethyl)-3-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]propoxy]-5,5-dimethyl-1,3,2-dioxaphosphinane?
2-[2,2-bis(chloromethyl)-3-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]propoxy]-5,5-dimethyl-1,3,2-dioxaphosphinane has a molecular weight of 437.24 g/mol, XLogP of 5.08, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-bis(chloromethyl)-3-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]propoxy]-5,5-dimethyl-1,3,2-dioxaphosphinane is sourced from PubChem (CID 143058585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).