tris(10,10-dimethylundecyl)phosphane

C39H81P — CID 152732477

IUPACtris(10,10-dimethylundecyl)phosphane
SMILESCC(C)(C)CCCCCCCCCP(CCCCCCCCCC(C)(C)C)CCCCCCCCCC(C)(C)C
InChIInChI=1S/C39H81P/c1-37(2,3)31-25-19-13-10-16-22-28-34-40(35-29-23-17-11-14-20-26-32-38(4,5)6)36-30-24-18-12-15-21-27-33-39(7,8)9/h10-36H2,1-9H3
InChIKeyZXXKIYZOZANGNS-UHFFFAOYSA-N
MW581.05 g/mol
LogP14.97
Rot. Bonds27

About tris(10,10-dimethylundecyl)phosphane

tris(10,10-dimethylundecyl)phosphane (PubChem CID 152732477) has the molecular formula C39H81P and a molecular weight of 581.05 g/mol. Its IUPAC name is tris(10,10-dimethylundecyl)phosphane.

Molecular Properties

Compound Nametris(10,10-dimethylundecyl)phosphane
PubChem CID152732477
Molecular FormulaC39H81P
Molecular Weight581.05 g/mol
Exact Mass580.61
IUPAC Nametris(10,10-dimethylundecyl)phosphane
SMILESCC(C)(C)CCCCCCCCCP(CCCCCCCCCC(C)(C)C)CCCCCCCCCC(C)(C)C
InChIInChI=1S/C39H81P/c1-37(2,3)31-25-19-13-10-16-22-28-34-40(35-29-23-17-11-14-20-26-32-38(4,5)6)36-30-24-18-12-15-21-27-33-39(7,8)9/h10-36H2,1-9H3
InChIKeyZXXKIYZOZANGNS-UHFFFAOYSA-N
XLogP14.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds27
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.05
LogP ≤ 514.97
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

14,14-dimethylpentadecyl(trimethyl)azanium
CID 141484398
7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane
CID 22907243
azane;2,2-dimethylundecane
CID 172735807
18,18-dimethylnonadecan-1-amine
CID 53249240
12,12-dimethyltridecan-1-amine
CID 87103604
1,1,1-trifluoro-20,20-dimethylhenicosane
CID 152547440
9,9-dimethyldecane-1-thiol
CID 522495
2,2-dimethylundecane;hydrobromide
CID 172814192
1-bromo-7,7-dimethyloctane
CID 18985391
4-dihexylphosphanylbutyl(dihexyl)phosphane
CID 90109945
bis(6-dipropylphosphanylhexyl)-propylphosphane
CID 90111361
dibutyl(5-dibutylphosphanylpentyl)phosphane
CID 90109453

Frequently Asked Questions

What is the IUPAC name of tris(10,10-dimethylundecyl)phosphane?
The IUPAC name of tris(10,10-dimethylundecyl)phosphane (CID 152732477) is tris(10,10-dimethylundecyl)phosphane.
What is the SMILES notation for tris(10,10-dimethylundecyl)phosphane?
The canonical SMILES for tris(10,10-dimethylundecyl)phosphane is CC(C)(C)CCCCCCCCCP(CCCCCCCCCC(C)(C)C)CCCCCCCCCC(C)(C)C.
What is the InChIKey of tris(10,10-dimethylundecyl)phosphane?
The InChIKey is ZXXKIYZOZANGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H81P/c1-37(2,3)31-25-19-13-10-16-22-28-34-40(35-29-23-17-11-14-20-26-32-38(4,5)6)36-30-24-18-12-15-21-27-33-39(7,8)9/h10-36H2,1-9H3.
What are the key properties of tris(10,10-dimethylundecyl)phosphane?
tris(10,10-dimethylundecyl)phosphane has a molecular weight of 581.05 g/mol, XLogP of 14.97, 27 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(10,10-dimethylundecyl)phosphane is sourced from PubChem (CID 152732477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).