1-dichlorophosphoryloxyhexane

C6H13Cl2O2P — CID 6422909

IUPAC1-dichlorophosphoryloxyhexane
SMILESCCCCCCOP(=O)(Cl)Cl
InChIInChI=1S/C6H13Cl2O2P/c1-2-3-4-5-6-10-11(7,8)9/h2-6H2,1H3
InChIKeyDSALCQNSJMUGOG-UHFFFAOYSA-N
MW219.05 g/mol
LogP4.17
Rot. Bonds6

About 1-dichlorophosphoryloxyhexane

1-dichlorophosphoryloxyhexane (PubChem CID 6422909) has the molecular formula C6H13Cl2O2P and a molecular weight of 219.05 g/mol. Its IUPAC name is 1-dichlorophosphoryloxyhexane.

Molecular Properties

Compound Name1-dichlorophosphoryloxyhexane
PubChem CID6422909
Molecular FormulaC6H13Cl2O2P
Molecular Weight219.05 g/mol
Exact Mass218.00
IUPAC Name1-dichlorophosphoryloxyhexane
SMILESCCCCCCOP(=O)(Cl)Cl
InChIInChI=1S/C6H13Cl2O2P/c1-2-3-4-5-6-10-11(7,8)9/h2-6H2,1H3
InChIKeyDSALCQNSJMUGOG-UHFFFAOYSA-N
XLogP4.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.05
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-dichlorophosphoryloxyhexane?
The IUPAC name of 1-dichlorophosphoryloxyhexane (CID 6422909) is 1-dichlorophosphoryloxyhexane.
What is the SMILES notation for 1-dichlorophosphoryloxyhexane?
The canonical SMILES for 1-dichlorophosphoryloxyhexane is CCCCCCOP(=O)(Cl)Cl.
What is the InChIKey of 1-dichlorophosphoryloxyhexane?
The InChIKey is DSALCQNSJMUGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13Cl2O2P/c1-2-3-4-5-6-10-11(7,8)9/h2-6H2,1H3.
What are the key properties of 1-dichlorophosphoryloxyhexane?
1-dichlorophosphoryloxyhexane has a molecular weight of 219.05 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dichlorophosphoryloxyhexane is sourced from PubChem (CID 6422909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).