6-chlorohexylphosphane

C6H14ClP — CID 150562107

IUPAC6-chlorohexylphosphane
SMILESPCCCCCCCl
InChIInChI=1S/C6H14ClP/c7-5-3-1-2-4-6-8/h1-6,8H2
InChIKeyIKBDLXDDDHMJCL-UHFFFAOYSA-N
MW152.60 g/mol
LogP2.66
Rot. Bonds5

About 6-chlorohexylphosphane

6-chlorohexylphosphane (PubChem CID 150562107) has the molecular formula C6H14ClP and a molecular weight of 152.60 g/mol. Its IUPAC name is 6-chlorohexylphosphane.

Molecular Properties

Compound Name6-chlorohexylphosphane
PubChem CID150562107
Molecular FormulaC6H14ClP
Molecular Weight152.60 g/mol
Exact Mass152.05
IUPAC Name6-chlorohexylphosphane
SMILESPCCCCCCCl
InChIInChI=1S/C6H14ClP/c7-5-3-1-2-4-6-8/h1-6,8H2
InChIKeyIKBDLXDDDHMJCL-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.60
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 6-chlorohexylphosphane?
The IUPAC name of 6-chlorohexylphosphane (CID 150562107) is 6-chlorohexylphosphane.
What is the SMILES notation for 6-chlorohexylphosphane?
The canonical SMILES for 6-chlorohexylphosphane is PCCCCCCCl.
What is the InChIKey of 6-chlorohexylphosphane?
The InChIKey is IKBDLXDDDHMJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClP/c7-5-3-1-2-4-6-8/h1-6,8H2.
What are the key properties of 6-chlorohexylphosphane?
6-chlorohexylphosphane has a molecular weight of 152.60 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorohexylphosphane is sourced from PubChem (CID 150562107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).