octyl(pentylphosphanyl)phosphane

C13H30P2 — CID 21095189

IUPACoctyl(pentylphosphanyl)phosphane
SMILESCCCCCCCCPPCCCCC
InChIInChI=1S/C13H30P2/c1-3-5-7-8-9-11-13-15-14-12-10-6-4-2/h14-15H,3-13H2,1-2H3
InChIKeyDSCIXCLCNKLCSY-UHFFFAOYSA-N
MW248.33 g/mol
LogP5.81
Rot. Bonds12

About octyl(pentylphosphanyl)phosphane

octyl(pentylphosphanyl)phosphane (PubChem CID 21095189) has the molecular formula C13H30P2 and a molecular weight of 248.33 g/mol. Its IUPAC name is octyl(pentylphosphanyl)phosphane.

Molecular Properties

Compound Nameoctyl(pentylphosphanyl)phosphane
PubChem CID21095189
Molecular FormulaC13H30P2
Molecular Weight248.33 g/mol
Exact Mass248.18
IUPAC Nameoctyl(pentylphosphanyl)phosphane
SMILESCCCCCCCCPPCCCCC
InChIInChI=1S/C13H30P2/c1-3-5-7-8-9-11-13-15-14-12-10-6-4-2/h14-15H,3-13H2,1-2H3
InChIKeyDSCIXCLCNKLCSY-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.33
LogP ≤ 55.81
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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Related Compounds

docosyl(docosylphosphanyl)phosphane
CID 21095052
heptyl(methylphosphanyl)phosphane
CID 21095173
decyl(undecyl)phosphane
CID 87830755
di(nonadecyl)phosphane
CID 87828565
dodecyl(octyl)phosphane
CID 87829037
methyl(tetradecyl)phosphane
CID 88708624
di(nonyl)phosphane;hydrochloride
CID 175813490
butyl(heptadecyl)phosphane
CID 146521828
CID 161246447
CID 161246447
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036

Frequently Asked Questions

What is the IUPAC name of octyl(pentylphosphanyl)phosphane?
The IUPAC name of octyl(pentylphosphanyl)phosphane (CID 21095189) is octyl(pentylphosphanyl)phosphane.
What is the SMILES notation for octyl(pentylphosphanyl)phosphane?
The canonical SMILES for octyl(pentylphosphanyl)phosphane is CCCCCCCCPPCCCCC.
What is the InChIKey of octyl(pentylphosphanyl)phosphane?
The InChIKey is DSCIXCLCNKLCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30P2/c1-3-5-7-8-9-11-13-15-14-12-10-6-4-2/h14-15H,3-13H2,1-2H3.
What are the key properties of octyl(pentylphosphanyl)phosphane?
octyl(pentylphosphanyl)phosphane has a molecular weight of 248.33 g/mol, XLogP of 5.81, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octyl(pentylphosphanyl)phosphane is sourced from PubChem (CID 21095189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).