(6-silyloxybenzo[c][2,1]benzoxaphosphinin-6-ium-6-yl)oxysilane

C12H14O3PSi2+ — CID 137328396

IUPAC(6-silyloxybenzo[c][2,1]benzoxaphosphinin-6-ium-6-yl)oxysilane
SMILES[SiH3]O[P+]1(O[SiH3])Oc2ccccc2-c2ccccc21
InChIInChI=1S/C12H14O3PSi2/c17-14-16(15-18)12-8-4-2-6-10(12)9-5-1-3-7-11(9)13-16/h1-8H,17-18H3/q+1
InChIKeyOMAXGVXNUOIDBI-UHFFFAOYSA-N
MW293.39 g/mol
LogP0.73
Rot. Bonds2

About (6-silyloxybenzo[c][2,1]benzoxaphosphinin-6-ium-6-yl)oxysilane

(6-silyloxybenzo[c][2,1]benzoxaphosphinin-6-ium-6-yl)oxysilane (PubChem CID 137328396) has the molecular formula C12H14O3PSi2+ and a molecular weight of 293.39 g/mol. Its IUPAC name is (6-silyloxybenzo[c][2,1]benzoxaphosphinin-6-ium-6-yl)oxysilane.

Molecular Properties

Compound Name(6-silyloxybenzo[c][2,1]benzoxaphosphinin-6-ium-6-yl)oxysilane
PubChem CID137328396
Molecular FormulaC12H14O3PSi2+
Molecular Weight293.39 g/mol
Exact Mass293.02
IUPAC Name(6-silyloxybenzo[c][2,1]benzoxaphosphinin-6-ium-6-yl)oxysilane
SMILES[SiH3]O[P+]1(O[SiH3])Oc2ccccc2-c2ccccc21
InChIInChI=1S/C12H14O3PSi2/c17-14-16(15-18)12-8-4-2-6-10(12)9-5-1-3-7-11(9)13-16/h1-8H,17-18H3/q+1
InChIKeyOMAXGVXNUOIDBI-UHFFFAOYSA-N
XLogP0.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

spiro[1,3,2-benzodioxaphosphol-2-ium-2,5'-benzo[b]phosphindol-5-ium]
CID 102464447
6-benzyl-6-hydroxybenzo[c][2,1]benzoxaphosphinin-6-ium
CID 71170000
14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 139199451
6-oxido-N-phenylbenzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-amine
CID 122401637
(8-silyloxy-7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)oxysilane
CID 137330972
2-(3-ethyl-1,5-dihydroxypentan-3-yl)-2-[(6-hydroxybenzo[c][2,1]benzoxaphosphinin-6-ium-6-yl)methyl]propanedioic acid
CID 68718703
5,5-ditert-butylbenzo[b]phosphindol-5-ium
CID 139085011
8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,10,14,16-heptaene
CID 174046531
benzo[d][1,3]benzoxazepine
CID 91433385
dimethyl (1R,2R,11R,12R)-10,13-dioxo-3,20-dioxapentacyclo[10.8.0.02,11.04,9.014,19]icosa-4,6,8,14,16,18-hexaene-1,2-dicarboxylate
CID 101464223
9-[2,3-di(xanthen-9-ylidene)cyclopropylidene]xanthene
CID 102008343
CID 132539732
CID 132539732

Frequently Asked Questions

What is the IUPAC name of (6-silyloxybenzo[c][2,1]benzoxaphosphinin-6-ium-6-yl)oxysilane?
The IUPAC name of (6-silyloxybenzo[c][2,1]benzoxaphosphinin-6-ium-6-yl)oxysilane (CID 137328396) is (6-silyloxybenzo[c][2,1]benzoxaphosphinin-6-ium-6-yl)oxysilane.
What is the SMILES notation for (6-silyloxybenzo[c][2,1]benzoxaphosphinin-6-ium-6-yl)oxysilane?
The canonical SMILES for (6-silyloxybenzo[c][2,1]benzoxaphosphinin-6-ium-6-yl)oxysilane is [SiH3]O[P+]1(O[SiH3])Oc2ccccc2-c2ccccc21.
What is the InChIKey of (6-silyloxybenzo[c][2,1]benzoxaphosphinin-6-ium-6-yl)oxysilane?
The InChIKey is OMAXGVXNUOIDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3PSi2/c17-14-16(15-18)12-8-4-2-6-10(12)9-5-1-3-7-11(9)13-16/h1-8H,17-18H3/q+1.
What are the key properties of (6-silyloxybenzo[c][2,1]benzoxaphosphinin-6-ium-6-yl)oxysilane?
(6-silyloxybenzo[c][2,1]benzoxaphosphinin-6-ium-6-yl)oxysilane has a molecular weight of 293.39 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-silyloxybenzo[c][2,1]benzoxaphosphinin-6-ium-6-yl)oxysilane is sourced from PubChem (CID 137328396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).