4-di(propan-2-yl)phosphanylbutyl-di(propan-2-yl)phosphane

C16H36P2 — CID 618935

IUPAC4-di(propan-2-yl)phosphanylbutyl-di(propan-2-yl)phosphane
SMILESCC(C)P(CCCCP(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C16H36P2/c1-13(2)17(14(3)4)11-9-10-12-18(15(5)6)16(7)8/h13-16H,9-12H2,1-8H3
InChIKeyHRZSNESBRSONNG-UHFFFAOYSA-N
MW290.41 g/mol
LogP6.36
Rot. Bonds9

About 4-di(propan-2-yl)phosphanylbutyl-di(propan-2-yl)phosphane

4-di(propan-2-yl)phosphanylbutyl-di(propan-2-yl)phosphane (PubChem CID 618935) has the molecular formula C16H36P2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-di(propan-2-yl)phosphanylbutyl-di(propan-2-yl)phosphane.

Molecular Properties

Compound Name4-di(propan-2-yl)phosphanylbutyl-di(propan-2-yl)phosphane
PubChem CID618935
Molecular FormulaC16H36P2
Molecular Weight290.41 g/mol
Exact Mass290.23
IUPAC Name4-di(propan-2-yl)phosphanylbutyl-di(propan-2-yl)phosphane
SMILESCC(C)P(CCCCP(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C16H36P2/c1-13(2)17(14(3)4)11-9-10-12-18(15(5)6)16(7)8/h13-16H,9-12H2,1-8H3
InChIKeyHRZSNESBRSONNG-UHFFFAOYSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 56.36
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 4-di(propan-2-yl)phosphanylbutyl-di(propan-2-yl)phosphane?
The IUPAC name of 4-di(propan-2-yl)phosphanylbutyl-di(propan-2-yl)phosphane (CID 618935) is 4-di(propan-2-yl)phosphanylbutyl-di(propan-2-yl)phosphane.
What is the SMILES notation for 4-di(propan-2-yl)phosphanylbutyl-di(propan-2-yl)phosphane?
The canonical SMILES for 4-di(propan-2-yl)phosphanylbutyl-di(propan-2-yl)phosphane is CC(C)P(CCCCP(C(C)C)C(C)C)C(C)C.
What is the InChIKey of 4-di(propan-2-yl)phosphanylbutyl-di(propan-2-yl)phosphane?
The InChIKey is HRZSNESBRSONNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36P2/c1-13(2)17(14(3)4)11-9-10-12-18(15(5)6)16(7)8/h13-16H,9-12H2,1-8H3.
What are the key properties of 4-di(propan-2-yl)phosphanylbutyl-di(propan-2-yl)phosphane?
4-di(propan-2-yl)phosphanylbutyl-di(propan-2-yl)phosphane has a molecular weight of 290.41 g/mol, XLogP of 6.36, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-di(propan-2-yl)phosphanylbutyl-di(propan-2-yl)phosphane is sourced from PubChem (CID 618935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).