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

C17H44NO6PSSi3 — CID 11454945

IUPACoctyl N-[tris(trimethylsilyloxy)-λ5-phosphanylidene]sulfamate
SMILESCCCCCCCCOS(=O)(=O)N=P(O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H44NO6PSSi3/c1-11-12-13-14-15-16-17-21-26(19,20)18-25(22-27(2,3)4,23-28(5,6)7)24-29(8,9)10/h11-17H2,1-10H3
InChIKeyXIEHZQGNZJWOFU-UHFFFAOYSA-N
MW505.84 g/mol
LogP7.11
Rot. Bonds15

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

octyl N-[tris(trimethylsilyloxy)-λ5-phosphanylidene]sulfamate (PubChem CID 11454945) has the molecular formula C17H44NO6PSSi3 and a molecular weight of 505.84 g/mol. Its IUPAC name is octyl N-[tris(trimethylsilyloxy)-λ5-phosphanylidene]sulfamate.

Molecular Properties

Compound Nameoctyl N-[tris(trimethylsilyloxy)-λ5-phosphanylidene]sulfamate
PubChem CID11454945
Molecular FormulaC17H44NO6PSSi3
Molecular Weight505.84 g/mol
Exact Mass505.19
IUPAC Nameoctyl N-[tris(trimethylsilyloxy)-λ5-phosphanylidene]sulfamate
SMILESCCCCCCCCOS(=O)(=O)N=P(O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H44NO6PSSi3/c1-11-12-13-14-15-16-17-21-26(19,20)18-25(22-27(2,3)4,23-28(5,6)7)24-29(8,9)10/h11-17H2,1-10H3
InChIKeyXIEHZQGNZJWOFU-UHFFFAOYSA-N
XLogP7.11
TPSA83.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.84
LogP ≤ 57.11
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

hexadecyl N-[tris(trimethylsilyloxy)-λ5-phosphanylidene]sulfamate
CID 101342320
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 octyl N-[tris(trimethylsilyloxy)-λ5-phosphanylidene]sulfamate?
The IUPAC name of octyl N-[tris(trimethylsilyloxy)-λ5-phosphanylidene]sulfamate (CID 11454945) is octyl N-[tris(trimethylsilyloxy)-λ5-phosphanylidene]sulfamate.
What is the SMILES notation for octyl N-[tris(trimethylsilyloxy)-λ5-phosphanylidene]sulfamate?
The canonical SMILES for octyl N-[tris(trimethylsilyloxy)-λ5-phosphanylidene]sulfamate is CCCCCCCCOS(=O)(=O)N=P(O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of octyl N-[tris(trimethylsilyloxy)-λ5-phosphanylidene]sulfamate?
The InChIKey is XIEHZQGNZJWOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H44NO6PSSi3/c1-11-12-13-14-15-16-17-21-26(19,20)18-25(22-27(2,3)4,23-28(5,6)7)24-29(8,9)10/h11-17H2,1-10H3.
What are the key properties of octyl N-[tris(trimethylsilyloxy)-λ5-phosphanylidene]sulfamate?
octyl N-[tris(trimethylsilyloxy)-λ5-phosphanylidene]sulfamate has a molecular weight of 505.84 g/mol, XLogP of 7.11, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for octyl N-[tris(trimethylsilyloxy)-λ5-phosphanylidene]sulfamate is sourced from PubChem (CID 11454945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).