pentan-2-yl(4-pentan-2-ylphosphanylbutyl)phosphane

C14H32P2 — CID 19095160

IUPACpentan-2-yl(4-pentan-2-ylphosphanylbutyl)phosphane
SMILESCCCC(C)PCCCCPC(C)CCC
InChIInChI=1S/C14H32P2/c1-5-9-13(3)15-11-7-8-12-16-14(4)10-6-2/h13-16H,5-12H2,1-4H3
InChIKeyVIMWODOWBFQVIX-UHFFFAOYSA-N
MW262.36 g/mol
LogP5.50
Rot. Bonds11

About pentan-2-yl(4-pentan-2-ylphosphanylbutyl)phosphane

pentan-2-yl(4-pentan-2-ylphosphanylbutyl)phosphane (PubChem CID 19095160) has the molecular formula C14H32P2 and a molecular weight of 262.36 g/mol. Its IUPAC name is pentan-2-yl(4-pentan-2-ylphosphanylbutyl)phosphane.

Molecular Properties

Compound Namepentan-2-yl(4-pentan-2-ylphosphanylbutyl)phosphane
PubChem CID19095160
Molecular FormulaC14H32P2
Molecular Weight262.36 g/mol
Exact Mass262.20
IUPAC Namepentan-2-yl(4-pentan-2-ylphosphanylbutyl)phosphane
SMILESCCCC(C)PCCCCPC(C)CCC
InChIInChI=1S/C14H32P2/c1-5-9-13(3)15-11-7-8-12-16-14(4)10-6-2/h13-16H,5-12H2,1-4H3
InChIKeyVIMWODOWBFQVIX-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.36
LogP ≤ 55.50
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

hexan-2-yl(methyl)phosphane
CID 90771423
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
2-methylpentane
CID 7892
pentan-2-ylsulfanium chloride
CID 172855201
4-methylheptane;pentane
CID 142501546
hexane;2-methylpentane
CID 19835603
methyl(3-methylhexyl)phosphane
CID 123785321
ethane;2-methylpentane
CID 143713716
4-methylheptane;propane
CID 142171269
azane;2-methylpentane
CID 18347292
2-methylpentane;hydroiodide
CID 160726714

Frequently Asked Questions

What is the IUPAC name of pentan-2-yl(4-pentan-2-ylphosphanylbutyl)phosphane?
The IUPAC name of pentan-2-yl(4-pentan-2-ylphosphanylbutyl)phosphane (CID 19095160) is pentan-2-yl(4-pentan-2-ylphosphanylbutyl)phosphane.
What is the SMILES notation for pentan-2-yl(4-pentan-2-ylphosphanylbutyl)phosphane?
The canonical SMILES for pentan-2-yl(4-pentan-2-ylphosphanylbutyl)phosphane is CCCC(C)PCCCCPC(C)CCC.
What is the InChIKey of pentan-2-yl(4-pentan-2-ylphosphanylbutyl)phosphane?
The InChIKey is VIMWODOWBFQVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32P2/c1-5-9-13(3)15-11-7-8-12-16-14(4)10-6-2/h13-16H,5-12H2,1-4H3.
What are the key properties of pentan-2-yl(4-pentan-2-ylphosphanylbutyl)phosphane?
pentan-2-yl(4-pentan-2-ylphosphanylbutyl)phosphane has a molecular weight of 262.36 g/mol, XLogP of 5.50, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-2-yl(4-pentan-2-ylphosphanylbutyl)phosphane is sourced from PubChem (CID 19095160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).