hexan-3-ylphosphane

C6H15P — CID 21278560

IUPAChexan-3-ylphosphane
SMILESCCCC(P)CC
InChIInChI=1S/C6H15P/c1-3-5-6(7)4-2/h6H,3-5,7H2,1-2H3
InChIKeyZPZZKNJQGCUFFP-UHFFFAOYSA-N
MW118.16 g/mol
LogP2.44
Rot. Bonds3

About hexan-3-ylphosphane

hexan-3-ylphosphane (PubChem CID 21278560) has the molecular formula C6H15P and a molecular weight of 118.16 g/mol. Its IUPAC name is hexan-3-ylphosphane.

Molecular Properties

Compound Namehexan-3-ylphosphane
PubChem CID21278560
Molecular FormulaC6H15P
Molecular Weight118.16 g/mol
Exact Mass118.09
IUPAC Namehexan-3-ylphosphane
SMILESCCCC(P)CC
InChIInChI=1S/C6H15P/c1-3-5-6(7)4-2/h6H,3-5,7H2,1-2H3
InChIKeyZPZZKNJQGCUFFP-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexan-3-ylphosphane?
The IUPAC name of hexan-3-ylphosphane (CID 21278560) is hexan-3-ylphosphane.
What is the SMILES notation for hexan-3-ylphosphane?
The canonical SMILES for hexan-3-ylphosphane is CCCC(P)CC.
What is the InChIKey of hexan-3-ylphosphane?
The InChIKey is ZPZZKNJQGCUFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15P/c1-3-5-6(7)4-2/h6H,3-5,7H2,1-2H3.
What are the key properties of hexan-3-ylphosphane?
hexan-3-ylphosphane has a molecular weight of 118.16 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-3-ylphosphane is sourced from PubChem (CID 21278560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).