dihexylphosphane

C12H27P — CID 11206692

IUPACdihexylphosphane
SMILESCCCCCCPCCCCCC
InChIInChI=1S/C12H27P/c1-3-5-7-9-11-13-12-10-8-6-4-2/h13H,3-12H2,1-2H3
InChIKeyIWQIEVOJUWFMSB-UHFFFAOYSA-N
MW202.32 g/mol
LogP4.83
Rot. Bonds10

About dihexylphosphane

dihexylphosphane (PubChem CID 11206692) has the molecular formula C12H27P and a molecular weight of 202.32 g/mol. Its IUPAC name is dihexylphosphane.

Molecular Properties

Compound Namedihexylphosphane
PubChem CID11206692
Molecular FormulaC12H27P
Molecular Weight202.32 g/mol
Exact Mass202.19
IUPAC Namedihexylphosphane
SMILESCCCCCCPCCCCCC
InChIInChI=1S/C12H27P/c1-3-5-7-9-11-13-12-10-8-6-4-2/h13H,3-12H2,1-2H3
InChIKeyIWQIEVOJUWFMSB-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 dihexylphosphane?
The IUPAC name of dihexylphosphane (CID 11206692) is dihexylphosphane.
What is the SMILES notation for dihexylphosphane?
The canonical SMILES for dihexylphosphane is CCCCCCPCCCCCC.
What is the InChIKey of dihexylphosphane?
The InChIKey is IWQIEVOJUWFMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27P/c1-3-5-7-9-11-13-12-10-8-6-4-2/h13H,3-12H2,1-2H3.
What are the key properties of dihexylphosphane?
dihexylphosphane has a molecular weight of 202.32 g/mol, XLogP of 4.83, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dihexylphosphane is sourced from PubChem (CID 11206692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).