2-trimethylsilyloxy-4'-(trimethylsilyloxymethyl)spiro[1,3,2lambda5-benzodioxaphosphole-2,2'-1-oxa-3-aza-2lambda5-phosphacyclopentane]-5'-one

C15H26NO6PSi2 — CID 15255986

IUPAC2-trimethylsilyloxy-4'-(trimethylsilyloxymethyl)spiro[1,3,2lambda5-benzodioxaphosphole-2,2'-1-oxa-3-aza-2lambda5-phosphacyclopentane]-5'-one
SMILESC[Si](C)(C)OCC1NP2(O[Si](C)(C)C)(OC1=O)Oc1ccccc1O2
InChIInChI=1S/C15H26NO6PSi2/c1-24(2,3)18-11-12-15(17)21-23(16-12,22-25(4,5)6)19-13-9-7-8-10-14(13)20-23/h7-10,12,16H,11H2,1-6H3
InChIKeyCXVQWQLYQNAIGT-UHFFFAOYSA-N
MW403.52 g/mol
LogP3.80
Rot. Bonds5

About 2-trimethylsilyloxy-4'-(trimethylsilyloxymethyl)spiro[1,3,2lambda5-benzodioxaphosphole-2,2'-1-oxa-3-aza-2lambda5-phosphacyclopentane]-5'-one

2-trimethylsilyloxy-4'-(trimethylsilyloxymethyl)spiro[1,3,2lambda5-benzodioxaphosphole-2,2'-1-oxa-3-aza-2lambda5-phosphacyclopentane]-5'-one (PubChem CID 15255986) has the molecular formula C15H26NO6PSi2 and a molecular weight of 403.52 g/mol. Its IUPAC name is 2-trimethylsilyloxy-4'-(trimethylsilyloxymethyl)spiro[1,3,2lambda5-benzodioxaphosphole-2,2'-1-oxa-3-aza-2lambda5-phosphacyclopentane]-5'-one.

Molecular Properties

Compound Name2-trimethylsilyloxy-4'-(trimethylsilyloxymethyl)spiro[1,3,2lambda5-benzodioxaphosphole-2,2'-1-oxa-3-aza-2lambda5-phosphacyclopentane]-5'-one
PubChem CID15255986
Molecular FormulaC15H26NO6PSi2
Molecular Weight403.52 g/mol
Exact Mass403.10
IUPAC Name2-trimethylsilyloxy-4'-(trimethylsilyloxymethyl)spiro[1,3,2lambda5-benzodioxaphosphole-2,2'-1-oxa-3-aza-2lambda5-phosphacyclopentane]-5'-one
SMILESC[Si](C)(C)OCC1NP2(O[Si](C)(C)C)(OC1=O)Oc1ccccc1O2
InChIInChI=1S/C15H26NO6PSi2/c1-24(2,3)18-11-12-15(17)21-23(16-12,22-25(4,5)6)19-13-9-7-8-10-14(13)20-23/h7-10,12,16H,11H2,1-6H3
InChIKeyCXVQWQLYQNAIGT-UHFFFAOYSA-N
XLogP3.80
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-trimethylsilyloxy-4'-(trimethylsilyloxymethyl)spiro[1,3,2lambda5-benzodioxaphosphole-2,2'-1-oxa-3-aza-2lambda5-phosphacyclopentane]-5'-one with MolForge

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Related Compounds

2-trimethylsilyloxyspiro[1,3,2lambda5-benzodioxaphosphole-2,2'-1-oxa-3-aza-2lambda5-phosphacyclopentane]-5'-one
CID 15255978
(3R)-3-(methoxymethyl)-3,4-dihydrochromen-2-one
CID 14941867
(3S)-3-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazine-2,5-dione
CID 10617741
3-(methoxymethyl)-3H-1-benzofuran-2-one
CID 139512716
[(2R,4R,5R,6S)-10-oxo-4-(trimethylsilyloxymethyl)-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-yl] acetate
CID 101280467
2-(trimethylsilyloxymethyl)-2H-furan-5-one
CID 20816445
N-(benzenesulfonyl)-N-[(2S,3S,5R)-3-fluoro-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]benzenesulfonamide
CID 169049664
trimethyl-[(2-phenylcyclohexyl)methoxy]silane
CID 144768157
2-methyl-1,3,2-benzodioxabismin-4-one
CID 161134790
2,2,2-triphenyl-1,3,2λ5-benzodioxaphosphole
CID 10970687
3-methyl-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one
CID 523322
trimethyl-[[methyl(phenyl)phosphoryl]methoxy]silane
CID 23420781

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilyloxy-4'-(trimethylsilyloxymethyl)spiro[1,3,2lambda5-benzodioxaphosphole-2,2'-1-oxa-3-aza-2lambda5-phosphacyclopentane]-5'-one?
The IUPAC name of 2-trimethylsilyloxy-4'-(trimethylsilyloxymethyl)spiro[1,3,2lambda5-benzodioxaphosphole-2,2'-1-oxa-3-aza-2lambda5-phosphacyclopentane]-5'-one (CID 15255986) is 2-trimethylsilyloxy-4'-(trimethylsilyloxymethyl)spiro[1,3,2lambda5-benzodioxaphosphole-2,2'-1-oxa-3-aza-2lambda5-phosphacyclopentane]-5'-one.
What is the SMILES notation for 2-trimethylsilyloxy-4'-(trimethylsilyloxymethyl)spiro[1,3,2lambda5-benzodioxaphosphole-2,2'-1-oxa-3-aza-2lambda5-phosphacyclopentane]-5'-one?
The canonical SMILES for 2-trimethylsilyloxy-4'-(trimethylsilyloxymethyl)spiro[1,3,2lambda5-benzodioxaphosphole-2,2'-1-oxa-3-aza-2lambda5-phosphacyclopentane]-5'-one is C[Si](C)(C)OCC1NP2(O[Si](C)(C)C)(OC1=O)Oc1ccccc1O2.
What is the InChIKey of 2-trimethylsilyloxy-4'-(trimethylsilyloxymethyl)spiro[1,3,2lambda5-benzodioxaphosphole-2,2'-1-oxa-3-aza-2lambda5-phosphacyclopentane]-5'-one?
The InChIKey is CXVQWQLYQNAIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26NO6PSi2/c1-24(2,3)18-11-12-15(17)21-23(16-12,22-25(4,5)6)19-13-9-7-8-10-14(13)20-23/h7-10,12,16H,11H2,1-6H3.
What are the key properties of 2-trimethylsilyloxy-4'-(trimethylsilyloxymethyl)spiro[1,3,2lambda5-benzodioxaphosphole-2,2'-1-oxa-3-aza-2lambda5-phosphacyclopentane]-5'-one?
2-trimethylsilyloxy-4'-(trimethylsilyloxymethyl)spiro[1,3,2lambda5-benzodioxaphosphole-2,2'-1-oxa-3-aza-2lambda5-phosphacyclopentane]-5'-one has a molecular weight of 403.52 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilyloxy-4'-(trimethylsilyloxymethyl)spiro[1,3,2lambda5-benzodioxaphosphole-2,2'-1-oxa-3-aza-2lambda5-phosphacyclopentane]-5'-one is sourced from PubChem (CID 15255986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).