hexadecyl N-[tris(trimethylsilyloxy)-λ5-phosphanylidene]sulfamate

C25H60NO6PSSi3 — CID 101342320

IUPAChexadecyl N-[tris(trimethylsilyloxy)-λ5-phosphanylidene]sulfamate
SMILESCCCCCCCCCCCCCCCCOS(=O)(=O)N=P(O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C25H60NO6PSSi3/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-34(27,28)26-33(30-35(2,3)4,31-36(5,6)7)32-37(8,9)10/h11-25H2,1-10H3
InChIKeySPBVIZIYEBWIHW-UHFFFAOYSA-N
MW618.06 g/mol
LogP10.23
Rot. Bonds23

About hexadecyl N-[tris(trimethylsilyloxy)-λ5-phosphanylidene]sulfamate

hexadecyl N-[tris(trimethylsilyloxy)-λ5-phosphanylidene]sulfamate (PubChem CID 101342320) has the molecular formula C25H60NO6PSSi3 and a molecular weight of 618.06 g/mol. Its IUPAC name is hexadecyl N-[tris(trimethylsilyloxy)-λ5-phosphanylidene]sulfamate.

Molecular Properties

Compound Namehexadecyl N-[tris(trimethylsilyloxy)-λ5-phosphanylidene]sulfamate
PubChem CID101342320
Molecular FormulaC25H60NO6PSSi3
Molecular Weight618.06 g/mol
Exact Mass617.32
IUPAC Namehexadecyl N-[tris(trimethylsilyloxy)-λ5-phosphanylidene]sulfamate
SMILESCCCCCCCCCCCCCCCCOS(=O)(=O)N=P(O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C25H60NO6PSSi3/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-34(27,28)26-33(30-35(2,3)4,31-36(5,6)7)32-37(8,9)10/h11-25H2,1-10H3
InChIKeySPBVIZIYEBWIHW-UHFFFAOYSA-N
XLogP10.23
TPSA83.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.06
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

octyl N-[tris(trimethylsilyloxy)-λ5-phosphanylidene]sulfamate
CID 11454945
octyl N-(triethoxy-λ5-phosphanylidene)sulfamate
CID 23245305
bis(tetradecoxysulfonyloxy)gallanyl tetradecyl sulfate
CID 140560639
ditetracosyl sulfate
CID 101286725
pentyl undecyl sulfate
CID 174900896
ethyl octyl sulfate
CID 22483719
tridecyl hydrogen sulfate;hydrate
CID 88668618
sodium dihexadecyl sulfate
CID 23616668
butyl hexadecyl sulfate
CID 174632644
magnesium dihexyl sulfate
CID 21125103
methane;pentyl methanesulfonate
CID 158804088
azanium didodecyl sulfate
CID 23617704

Frequently Asked Questions

What is the IUPAC name of hexadecyl N-[tris(trimethylsilyloxy)-λ5-phosphanylidene]sulfamate?
The IUPAC name of hexadecyl N-[tris(trimethylsilyloxy)-λ5-phosphanylidene]sulfamate (CID 101342320) is hexadecyl N-[tris(trimethylsilyloxy)-λ5-phosphanylidene]sulfamate.
What is the SMILES notation for hexadecyl N-[tris(trimethylsilyloxy)-λ5-phosphanylidene]sulfamate?
The canonical SMILES for hexadecyl N-[tris(trimethylsilyloxy)-λ5-phosphanylidene]sulfamate is CCCCCCCCCCCCCCCCOS(=O)(=O)N=P(O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of hexadecyl N-[tris(trimethylsilyloxy)-λ5-phosphanylidene]sulfamate?
The InChIKey is SPBVIZIYEBWIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H60NO6PSSi3/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-34(27,28)26-33(30-35(2,3)4,31-36(5,6)7)32-37(8,9)10/h11-25H2,1-10H3.
What are the key properties of hexadecyl N-[tris(trimethylsilyloxy)-λ5-phosphanylidene]sulfamate?
hexadecyl N-[tris(trimethylsilyloxy)-λ5-phosphanylidene]sulfamate has a molecular weight of 618.06 g/mol, XLogP of 10.23, 23 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecyl N-[tris(trimethylsilyloxy)-λ5-phosphanylidene]sulfamate is sourced from PubChem (CID 101342320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).