tris(triheptylsilyl)phosphane

C63H135PSi3 — CID 158326759

IUPACtris(triheptylsilyl)phosphane
SMILESCCCCCCC[Si](CCCCCCC)(CCCCCCC)P([Si](CCCCCCC)(CCCCCCC)CCCCCCC)[Si](CCCCCCC)(CCCCCCC)CCCCCCC
InChIInChI=1S/C63H135PSi3/c1-10-19-28-37-46-55-65(56-47-38-29-20-11-2,57-48-39-30-21-12-3)64(66(58-49-40-31-22-13-4,59-50-41-32-23-14-5)60-51-42-33-24-15-6)67(61-52-43-34-25-16-7,62-53-44-35-26-17-8)63-54-45-36-27-18-9/h10-63H2,1-9H3
InChIKeyGPMRQGTUAQAEEV-UHFFFAOYSA-N
MW1008.00 g/mol
LogP26.04
Rot. Bonds57

About tris(triheptylsilyl)phosphane

tris(triheptylsilyl)phosphane (PubChem CID 158326759) has the molecular formula C63H135PSi3 and a molecular weight of 1008.00 g/mol. Its IUPAC name is tris(triheptylsilyl)phosphane.

Molecular Properties

Compound Nametris(triheptylsilyl)phosphane
PubChem CID158326759
Molecular FormulaC63H135PSi3
Molecular Weight1008.00 g/mol
Exact Mass1006.96
IUPAC Nametris(triheptylsilyl)phosphane
SMILESCCCCCCC[Si](CCCCCCC)(CCCCCCC)P([Si](CCCCCCC)(CCCCCCC)CCCCCCC)[Si](CCCCCCC)(CCCCCCC)CCCCCCC
InChIInChI=1S/C63H135PSi3/c1-10-19-28-37-46-55-65(56-47-38-29-20-11-2,57-48-39-30-21-12-3)64(66(58-49-40-31-22-13-4,59-50-41-32-23-14-5)60-51-42-33-24-15-6)67(61-52-43-34-25-16-7,62-53-44-35-26-17-8)63-54-45-36-27-18-9/h10-63H2,1-9H3
InChIKeyGPMRQGTUAQAEEV-UHFFFAOYSA-N
XLogP26.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds57
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001008.00
LogP ≤ 526.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 143212018
bis(heptane);hydrochloride
CID 160833718
pentacosane;hydrochloride
CID 172714496
nonadecane;hydrochloride
CID 172821128
hydroxy-dimethyl-octadecylsilane
CID 11198256
methane;octane;dihydrochloride
CID 174397937
heptane;phosphane;trihydrochloride
CID 175501735
heptane;silane;trihydrochloride
CID 173470147
azane;tritriacontane;hydrochloride
CID 174841743
bis(octane);silane;dihydrochloride
CID 173470119
dodecane;phosphane;dihydrochloride
CID 173449681
butyl-dihexyl-octylsilane
CID 168803297

Frequently Asked Questions

What is the IUPAC name of tris(triheptylsilyl)phosphane?
The IUPAC name of tris(triheptylsilyl)phosphane (CID 158326759) is tris(triheptylsilyl)phosphane.
What is the SMILES notation for tris(triheptylsilyl)phosphane?
The canonical SMILES for tris(triheptylsilyl)phosphane is CCCCCCC[Si](CCCCCCC)(CCCCCCC)P([Si](CCCCCCC)(CCCCCCC)CCCCCCC)[Si](CCCCCCC)(CCCCCCC)CCCCCCC.
What is the InChIKey of tris(triheptylsilyl)phosphane?
The InChIKey is GPMRQGTUAQAEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H135PSi3/c1-10-19-28-37-46-55-65(56-47-38-29-20-11-2,57-48-39-30-21-12-3)64(66(58-49-40-31-22-13-4,59-50-41-32-23-14-5)60-51-42-33-24-15-6)67(61-52-43-34-25-16-7,62-53-44-35-26-17-8)63-54-45-36-27-18-9/h10-63H2,1-9H3.
What are the key properties of tris(triheptylsilyl)phosphane?
tris(triheptylsilyl)phosphane has a molecular weight of 1008.00 g/mol, XLogP of 26.04, 57 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(triheptylsilyl)phosphane is sourced from PubChem (CID 158326759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).