2-trimethylsilyloxyspiro[1,3,2lambda5-benzodioxaphosphole-2,2'-1-oxa-3-aza-2lambda5-phosphacyclopentane]-5'-one

C11H16NO5PSi — CID 15255978

IUPAC2-trimethylsilyloxyspiro[1,3,2lambda5-benzodioxaphosphole-2,2'-1-oxa-3-aza-2lambda5-phosphacyclopentane]-5'-one
SMILESC[Si](C)(C)OP12(NCC(=O)O1)Oc1ccccc1O2
InChIInChI=1S/C11H16NO5PSi/c1-19(2,3)17-18(12-8-11(13)16-18)14-9-6-4-5-7-10(9)15-18/h4-7,12H,8H2,1-3H3
InChIKeyABYNTTVSPMKYAL-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.58
Rot. Bonds2

About 2-trimethylsilyloxyspiro[1,3,2lambda5-benzodioxaphosphole-2,2'-1-oxa-3-aza-2lambda5-phosphacyclopentane]-5'-one

2-trimethylsilyloxyspiro[1,3,2lambda5-benzodioxaphosphole-2,2'-1-oxa-3-aza-2lambda5-phosphacyclopentane]-5'-one (PubChem CID 15255978) has the molecular formula C11H16NO5PSi and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-trimethylsilyloxyspiro[1,3,2lambda5-benzodioxaphosphole-2,2'-1-oxa-3-aza-2lambda5-phosphacyclopentane]-5'-one.

Molecular Properties

Compound Name2-trimethylsilyloxyspiro[1,3,2lambda5-benzodioxaphosphole-2,2'-1-oxa-3-aza-2lambda5-phosphacyclopentane]-5'-one
PubChem CID15255978
Molecular FormulaC11H16NO5PSi
Molecular Weight301.31 g/mol
Exact Mass301.05
IUPAC Name2-trimethylsilyloxyspiro[1,3,2lambda5-benzodioxaphosphole-2,2'-1-oxa-3-aza-2lambda5-phosphacyclopentane]-5'-one
SMILESC[Si](C)(C)OP12(NCC(=O)O1)Oc1ccccc1O2
InChIInChI=1S/C11H16NO5PSi/c1-19(2,3)17-18(12-8-11(13)16-18)14-9-6-4-5-7-10(9)15-18/h4-7,12H,8H2,1-3H3
InChIKeyABYNTTVSPMKYAL-UHFFFAOYSA-N
XLogP2.58
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-trimethylsilyloxy-4'-(trimethylsilyloxymethyl)spiro[1,3,2lambda5-benzodioxaphosphole-2,2'-1-oxa-3-aza-2lambda5-phosphacyclopentane]-5'-one
CID 15255986
2,2,2-triphenyl-1,3,2λ5-benzodioxaphosphole
CID 10970687
dimethyl-(4-oxo-2,3-dihydrochromen-3-yl)sulfanium
CID 22974592
(4R)-4-[bis(4-fluorophenyl)-trimethylsilyloxymethyl]-3,4-dihydrochromen-2-one
CID 132535376
2,2,2-triphenyl-1,3,2λ5-dioxaphosphepane-4,7-dione
CID 133053627
aziridin-2-one;naphthalene
CID 20975737
2-methoxy-5'-methylspiro[1,3,2λ5-benzodioxaphosphole-2,2'-1-oxa-2λ5-phosphacyclopent-4-ene]
CID 23269634
2-methyl-1,3,2-benzodioxabismin-4-one
CID 161134790
6-methoxy-3,4-dihydro-1,4-benzoxazin-2-one
CID 84656764
2,2-bis(methoxymethyl)-4H-chromen-3-one
CID 57163474
furan;1,3-oxazolidin-5-one
CID 174848359
4H-1,2-benzoxazin-3-one
CID 158155909

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilyloxyspiro[1,3,2lambda5-benzodioxaphosphole-2,2'-1-oxa-3-aza-2lambda5-phosphacyclopentane]-5'-one?
The IUPAC name of 2-trimethylsilyloxyspiro[1,3,2lambda5-benzodioxaphosphole-2,2'-1-oxa-3-aza-2lambda5-phosphacyclopentane]-5'-one (CID 15255978) is 2-trimethylsilyloxyspiro[1,3,2lambda5-benzodioxaphosphole-2,2'-1-oxa-3-aza-2lambda5-phosphacyclopentane]-5'-one.
What is the SMILES notation for 2-trimethylsilyloxyspiro[1,3,2lambda5-benzodioxaphosphole-2,2'-1-oxa-3-aza-2lambda5-phosphacyclopentane]-5'-one?
The canonical SMILES for 2-trimethylsilyloxyspiro[1,3,2lambda5-benzodioxaphosphole-2,2'-1-oxa-3-aza-2lambda5-phosphacyclopentane]-5'-one is C[Si](C)(C)OP12(NCC(=O)O1)Oc1ccccc1O2.
What is the InChIKey of 2-trimethylsilyloxyspiro[1,3,2lambda5-benzodioxaphosphole-2,2'-1-oxa-3-aza-2lambda5-phosphacyclopentane]-5'-one?
The InChIKey is ABYNTTVSPMKYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16NO5PSi/c1-19(2,3)17-18(12-8-11(13)16-18)14-9-6-4-5-7-10(9)15-18/h4-7,12H,8H2,1-3H3.
What are the key properties of 2-trimethylsilyloxyspiro[1,3,2lambda5-benzodioxaphosphole-2,2'-1-oxa-3-aza-2lambda5-phosphacyclopentane]-5'-one?
2-trimethylsilyloxyspiro[1,3,2lambda5-benzodioxaphosphole-2,2'-1-oxa-3-aza-2lambda5-phosphacyclopentane]-5'-one has a molecular weight of 301.31 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilyloxyspiro[1,3,2lambda5-benzodioxaphosphole-2,2'-1-oxa-3-aza-2lambda5-phosphacyclopentane]-5'-one is sourced from PubChem (CID 15255978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).