tri(heptadecan-3-yl)phosphane

C51H105P — CID 90112441

IUPACtri(heptadecan-3-yl)phosphane
SMILESCCCCCCCCCCCCCCC(CC)P(C(CC)CCCCCCCCCCCCCC)C(CC)CCCCCCCCCCCCCC
InChIInChI=1S/C51H105P/c1-7-13-16-19-22-25-28-31-34-37-40-43-46-49(10-4)52(50(11-5)47-44-41-38-35-32-29-26-23-20-17-14-8-2)51(12-6)48-45-42-39-36-33-30-27-24-21-18-15-9-3/h49-51H,7-48H2,1-6H3
InChIKeyJKZZSCJSPSSBJF-UHFFFAOYSA-N
MW749.37 g/mol
LogP20.08
Rot. Bonds45

About tri(heptadecan-3-yl)phosphane

tri(heptadecan-3-yl)phosphane (PubChem CID 90112441) has the molecular formula C51H105P and a molecular weight of 749.37 g/mol. Its IUPAC name is tri(heptadecan-3-yl)phosphane.

Molecular Properties

Compound Nametri(heptadecan-3-yl)phosphane
PubChem CID90112441
Molecular FormulaC51H105P
Molecular Weight749.37 g/mol
Exact Mass748.80
IUPAC Nametri(heptadecan-3-yl)phosphane
SMILESCCCCCCCCCCCCCCC(CC)P(C(CC)CCCCCCCCCCCCCC)C(CC)CCCCCCCCCCCCCC
InChIInChI=1S/C51H105P/c1-7-13-16-19-22-25-28-31-34-37-40-43-46-49(10-4)52(50(11-5)47-44-41-38-35-32-29-26-23-20-17-14-8-2)51(12-6)48-45-42-39-36-33-30-27-24-21-18-15-9-3/h49-51H,7-48H2,1-6H3
InChIKeyJKZZSCJSPSSBJF-UHFFFAOYSA-N
XLogP20.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds45
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.37
LogP ≤ 520.08
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

decan-3-yl(dioctyl)phosphane
CID 150488617
dioctyl(tetracosan-8-yl)phosphane
CID 159416945
tris(decan-2-yl)phosphane
CID 90108783
dodecan-5-yl(dioctyl)phosphane
CID 172795592
butan-2-yl-heptan-3-yl-octylphosphane
CID 144962295
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
hexatriacontane-1,1-diamine
CID 21495844
3-ethylpentacosane
CID 22224239
3-ethylicosane
CID 528487
hexacosane-1,1-diamine
CID 137375175
9,10-diethyloctadecane
CID 530164

Frequently Asked Questions

What is the IUPAC name of tri(heptadecan-3-yl)phosphane?
The IUPAC name of tri(heptadecan-3-yl)phosphane (CID 90112441) is tri(heptadecan-3-yl)phosphane.
What is the SMILES notation for tri(heptadecan-3-yl)phosphane?
The canonical SMILES for tri(heptadecan-3-yl)phosphane is CCCCCCCCCCCCCCC(CC)P(C(CC)CCCCCCCCCCCCCC)C(CC)CCCCCCCCCCCCCC.
What is the InChIKey of tri(heptadecan-3-yl)phosphane?
The InChIKey is JKZZSCJSPSSBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H105P/c1-7-13-16-19-22-25-28-31-34-37-40-43-46-49(10-4)52(50(11-5)47-44-41-38-35-32-29-26-23-20-17-14-8-2)51(12-6)48-45-42-39-36-33-30-27-24-21-18-15-9-3/h49-51H,7-48H2,1-6H3.
What are the key properties of tri(heptadecan-3-yl)phosphane?
tri(heptadecan-3-yl)phosphane has a molecular weight of 749.37 g/mol, XLogP of 20.08, 45 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tri(heptadecan-3-yl)phosphane is sourced from PubChem (CID 90112441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).