tris(decan-2-yl)phosphane

C30H63P — CID 90108783

IUPACtris(decan-2-yl)phosphane
SMILESCCCCCCCCC(C)P(C(C)CCCCCCCC)C(C)CCCCCCCC
InChIInChI=1S/C30H63P/c1-7-10-13-16-19-22-25-28(4)31(29(5)26-23-20-17-14-11-8-2)30(6)27-24-21-18-15-12-9-3/h28-30H,7-27H2,1-6H3
InChIKeyPYFRCAIDTNXBPY-UHFFFAOYSA-N
MW454.81 g/mol
LogP11.89
Rot. Bonds24

About tris(decan-2-yl)phosphane

tris(decan-2-yl)phosphane (PubChem CID 90108783) has the molecular formula C30H63P and a molecular weight of 454.81 g/mol. Its IUPAC name is tris(decan-2-yl)phosphane.

Molecular Properties

Compound Nametris(decan-2-yl)phosphane
PubChem CID90108783
Molecular FormulaC30H63P
Molecular Weight454.81 g/mol
Exact Mass454.47
IUPAC Nametris(decan-2-yl)phosphane
SMILESCCCCCCCCC(C)P(C(C)CCCCCCCC)C(C)CCCCCCCC
InChIInChI=1S/C30H63P/c1-7-10-13-16-19-22-25-28(4)31(29(5)26-23-20-17-14-11-8-2)30(6)27-24-21-18-15-12-9-3/h28-30H,7-27H2,1-6H3
InChIKeyPYFRCAIDTNXBPY-UHFFFAOYSA-N
XLogP11.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.81
LogP ≤ 511.89
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

azane;nonan-2-yl(dioctyl)phosphane
CID 172807028
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
11,12-dimethyltricosane
CID 173430605
6-methyloctacosane
CID 22223942
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
6-methylheptacosane
CID 22223776
2-methylpentaoctacontane
CID 90745672
15-methylhexatriacontane
CID 86002594
2-methyldecane
CID 23415
10,16-dimethyldotriacontane
CID 91748795

Frequently Asked Questions

What is the IUPAC name of tris(decan-2-yl)phosphane?
The IUPAC name of tris(decan-2-yl)phosphane (CID 90108783) is tris(decan-2-yl)phosphane.
What is the SMILES notation for tris(decan-2-yl)phosphane?
The canonical SMILES for tris(decan-2-yl)phosphane is CCCCCCCCC(C)P(C(C)CCCCCCCC)C(C)CCCCCCCC.
What is the InChIKey of tris(decan-2-yl)phosphane?
The InChIKey is PYFRCAIDTNXBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H63P/c1-7-10-13-16-19-22-25-28(4)31(29(5)26-23-20-17-14-11-8-2)30(6)27-24-21-18-15-12-9-3/h28-30H,7-27H2,1-6H3.
What are the key properties of tris(decan-2-yl)phosphane?
tris(decan-2-yl)phosphane has a molecular weight of 454.81 g/mol, XLogP of 11.89, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(decan-2-yl)phosphane is sourced from PubChem (CID 90108783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).