butyl-bis(2-butyl-2-phosphanylhexyl)phosphane

C24H53P3 — CID 90112453

IUPACbutyl-bis(2-butyl-2-phosphanylhexyl)phosphane
SMILESCCCCP(CC(P)(CCCC)CCCC)CC(P)(CCCC)CCCC
InChIInChI=1S/C24H53P3/c1-6-11-16-23(25,17-12-7-2)21-27(20-15-10-5)22-24(26,18-13-8-3)19-14-9-4/h6-22,25-26H2,1-5H3
InChIKeyZKTSRSWXCCUOJW-UHFFFAOYSA-N
MW434.61 g/mol
LogP9.26
Rot. Bonds19

About butyl-bis(2-butyl-2-phosphanylhexyl)phosphane

butyl-bis(2-butyl-2-phosphanylhexyl)phosphane (PubChem CID 90112453) has the molecular formula C24H53P3 and a molecular weight of 434.61 g/mol. Its IUPAC name is butyl-bis(2-butyl-2-phosphanylhexyl)phosphane.

Molecular Properties

Compound Namebutyl-bis(2-butyl-2-phosphanylhexyl)phosphane
PubChem CID90112453
Molecular FormulaC24H53P3
Molecular Weight434.61 g/mol
Exact Mass434.34
IUPAC Namebutyl-bis(2-butyl-2-phosphanylhexyl)phosphane
SMILESCCCCP(CC(P)(CCCC)CCCC)CC(P)(CCCC)CCCC
InChIInChI=1S/C24H53P3/c1-6-11-16-23(25,17-12-7-2)21-27(20-15-10-5)22-24(26,18-13-8-3)19-14-9-4/h6-22,25-26H2,1-5H3
InChIKeyZKTSRSWXCCUOJW-UHFFFAOYSA-N
XLogP9.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.61
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-butylnonan-5-ylphosphane;phosphane;hydroiodide
CID 174377690
7-butyltridecan-7-ylphosphane
CID 118892798
13-dodecylpentacosan-13-ylphosphane;hydroiodide
CID 173401812
azane;tributylphosphane
CID 87538509
gold;tributylphosphane
CID 88800341
ruthenium;tetrakis(tributylphosphane)
CID 137286049
nickel;bis(tributylphosphane)
CID 50940317
nickel(2+);tributylphosphane
CID 161451777
12-undecyltricosan-12-ylphosphane
CID 21324491
dibutyl(5-dibutylphosphanylpentyl)phosphane
CID 90109453
cobalt;rhodium;tributylphosphane
CID 174653599
platinum;bis(tributylphosphane);dihydrochloride
CID 101088975

Frequently Asked Questions

What is the IUPAC name of butyl-bis(2-butyl-2-phosphanylhexyl)phosphane?
The IUPAC name of butyl-bis(2-butyl-2-phosphanylhexyl)phosphane (CID 90112453) is butyl-bis(2-butyl-2-phosphanylhexyl)phosphane.
What is the SMILES notation for butyl-bis(2-butyl-2-phosphanylhexyl)phosphane?
The canonical SMILES for butyl-bis(2-butyl-2-phosphanylhexyl)phosphane is CCCCP(CC(P)(CCCC)CCCC)CC(P)(CCCC)CCCC.
What is the InChIKey of butyl-bis(2-butyl-2-phosphanylhexyl)phosphane?
The InChIKey is ZKTSRSWXCCUOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H53P3/c1-6-11-16-23(25,17-12-7-2)21-27(20-15-10-5)22-24(26,18-13-8-3)19-14-9-4/h6-22,25-26H2,1-5H3.
What are the key properties of butyl-bis(2-butyl-2-phosphanylhexyl)phosphane?
butyl-bis(2-butyl-2-phosphanylhexyl)phosphane has a molecular weight of 434.61 g/mol, XLogP of 9.26, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-bis(2-butyl-2-phosphanylhexyl)phosphane is sourced from PubChem (CID 90112453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).