2,6-dichlorohexylphosphane

C6H13Cl2P — CID 20570467

IUPAC2,6-dichlorohexylphosphane
SMILESPCC(Cl)CCCCCl
InChIInChI=1S/C6H13Cl2P/c7-4-2-1-3-6(8)5-9/h6H,1-5,9H2
InChIKeyLGWKQEAPHDKKRP-UHFFFAOYSA-N
MW187.05 g/mol
LogP2.88
Rot. Bonds5

About 2,6-dichlorohexylphosphane

2,6-dichlorohexylphosphane (PubChem CID 20570467) has the molecular formula C6H13Cl2P and a molecular weight of 187.05 g/mol. Its IUPAC name is 2,6-dichlorohexylphosphane.

Molecular Properties

Compound Name2,6-dichlorohexylphosphane
PubChem CID20570467
Molecular FormulaC6H13Cl2P
Molecular Weight187.05 g/mol
Exact Mass186.01
IUPAC Name2,6-dichlorohexylphosphane
SMILESPCC(Cl)CCCCCl
InChIInChI=1S/C6H13Cl2P/c7-4-2-1-3-6(8)5-9/h6H,1-5,9H2
InChIKeyLGWKQEAPHDKKRP-UHFFFAOYSA-N
XLogP2.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.05
LogP ≤ 52.88
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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Related Compounds

1,5-dichlorononane
CID 57182000
2,6-dichlorohexyl(methyl)silane
CID 175534769
1,2,3,4,6,10-hexachlorodecane
CID 88737351
CID 87098051
CID 87098051
(2R,8S)-1,2,8,9-tetrachlorononane
CID 98103574
2,6-dichlorohexyl(prop-2-enyl)silane
CID 175326373
1,1,2,3,7-pentachloroheptane
CID 90233122
1,8-dichloro-2-methyloctane
CID 154320293
6-chlorohexylphosphane
CID 150562107
2,10-dichlorodecane-1,1,1-triol
CID 118276052
2-(2,6-dichlorohexyl)phenol
CID 139629485
1,7-dichloro-3-methylheptane
CID 175072872

Frequently Asked Questions

What is the IUPAC name of 2,6-dichlorohexylphosphane?
The IUPAC name of 2,6-dichlorohexylphosphane (CID 20570467) is 2,6-dichlorohexylphosphane.
What is the SMILES notation for 2,6-dichlorohexylphosphane?
The canonical SMILES for 2,6-dichlorohexylphosphane is PCC(Cl)CCCCCl.
What is the InChIKey of 2,6-dichlorohexylphosphane?
The InChIKey is LGWKQEAPHDKKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13Cl2P/c7-4-2-1-3-6(8)5-9/h6H,1-5,9H2.
What are the key properties of 2,6-dichlorohexylphosphane?
2,6-dichlorohexylphosphane has a molecular weight of 187.05 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichlorohexylphosphane is sourced from PubChem (CID 20570467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).