1,2-dichloro-3-[2,3-dichloropropoxy(2,3-dichloropropyl)phosphoryl]oxypropane

C9H15Cl6O3P — CID 87283175

IUPAC1,2-dichloro-3-[2,3-dichloropropoxy(2,3-dichloropropyl)phosphoryl]oxypropane
SMILESO=P(CC(Cl)CCl)(OCC(Cl)CCl)OCC(Cl)CCl
InChIInChI=1S/C9H15Cl6O3P/c10-1-7(13)4-17-19(16,6-9(15)3-12)18-5-8(14)2-11/h7-9H,1-6H2
InChIKeyHBIYTQYFEGQPQQ-UHFFFAOYSA-N
MW414.91 g/mol
LogP4.75
Rot. Bonds11

About 1,2-dichloro-3-[2,3-dichloropropoxy(2,3-dichloropropyl)phosphoryl]oxypropane

1,2-dichloro-3-[2,3-dichloropropoxy(2,3-dichloropropyl)phosphoryl]oxypropane (PubChem CID 87283175) has the molecular formula C9H15Cl6O3P and a molecular weight of 414.91 g/mol. Its IUPAC name is 1,2-dichloro-3-[2,3-dichloropropoxy(2,3-dichloropropyl)phosphoryl]oxypropane.

Molecular Properties

Compound Name1,2-dichloro-3-[2,3-dichloropropoxy(2,3-dichloropropyl)phosphoryl]oxypropane
PubChem CID87283175
Molecular FormulaC9H15Cl6O3P
Molecular Weight414.91 g/mol
Exact Mass411.89
IUPAC Name1,2-dichloro-3-[2,3-dichloropropoxy(2,3-dichloropropyl)phosphoryl]oxypropane
SMILESO=P(CC(Cl)CCl)(OCC(Cl)CCl)OCC(Cl)CCl
InChIInChI=1S/C9H15Cl6O3P/c10-1-7(13)4-17-19(16,6-9(15)3-12)18-5-8(14)2-11/h7-9H,1-6H2
InChIKeyHBIYTQYFEGQPQQ-UHFFFAOYSA-N
XLogP4.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 54.75
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
Bis(2-chloro-1-(chloromethyl)ethyl) 2,3-dichloropropyl phosphate
CID 50203
Tris(1,3-dichloropropyl)phosphate
CID 38388
Phosphoric acid hydrogen bis(2,3-dichloropropyl) ester
CID 19829553
Bis(3-chloropropyl)(3-chloropropyl)phosphonate
CID 237876
Tris(dichloropropyl) phosphate
CID 33553
Tris(2,3-dichloropropyl) phosphite
CID 352057
2-Chloropropyl bis(2,3-dichloropropyl) phosphate
CID 85874838
Bis(2-chloropropyl) 2,3-dichloropropyl phosphate
CID 141096143
Tris(2,2,3,3-tetrachloropropyl) phosphate
CID 154130595
Bis(2,3-dichloropropyl) phosphate
CID 19829552
Niosh/SZ7641000
CID 162624041

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-[2,3-dichloropropoxy(2,3-dichloropropyl)phosphoryl]oxypropane?
The IUPAC name of 1,2-dichloro-3-[2,3-dichloropropoxy(2,3-dichloropropyl)phosphoryl]oxypropane (CID 87283175) is 1,2-dichloro-3-[2,3-dichloropropoxy(2,3-dichloropropyl)phosphoryl]oxypropane.
What is the SMILES notation for 1,2-dichloro-3-[2,3-dichloropropoxy(2,3-dichloropropyl)phosphoryl]oxypropane?
The canonical SMILES for 1,2-dichloro-3-[2,3-dichloropropoxy(2,3-dichloropropyl)phosphoryl]oxypropane is O=P(CC(Cl)CCl)(OCC(Cl)CCl)OCC(Cl)CCl.
What is the InChIKey of 1,2-dichloro-3-[2,3-dichloropropoxy(2,3-dichloropropyl)phosphoryl]oxypropane?
The InChIKey is HBIYTQYFEGQPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl6O3P/c10-1-7(13)4-17-19(16,6-9(15)3-12)18-5-8(14)2-11/h7-9H,1-6H2.
What are the key properties of 1,2-dichloro-3-[2,3-dichloropropoxy(2,3-dichloropropyl)phosphoryl]oxypropane?
1,2-dichloro-3-[2,3-dichloropropoxy(2,3-dichloropropyl)phosphoryl]oxypropane has a molecular weight of 414.91 g/mol, XLogP of 4.75, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-[2,3-dichloropropoxy(2,3-dichloropropyl)phosphoryl]oxypropane is sourced from PubChem (CID 87283175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).