triethoxy-[2-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-2,4-dihydro-1,3-benzoxazin-3-yl]ethyl]silane

C28H34NO6PSi — CID 89432157

IUPACtriethoxy-[2-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-2,4-dihydro-1,3-benzoxazin-3-yl]ethyl]silane
SMILESCCO[Si](CCN1Cc2ccccc2OC1P1(=O)Oc2ccccc2-c2ccccc21)(OCC)OCC
InChIInChI=1S/C28H34NO6PSi/c1-4-31-37(32-5-2,33-6-3)20-19-29-21-22-13-7-10-16-25(22)34-28(29)36(30)27-18-12-9-15-24(27)23-14-8-11-17-26(23)35-36/h7-18,28H,4-6,19-21H2,1-3H3
InChIKeyRKFBZFYTEDSALR-UHFFFAOYSA-N
MW539.64 g/mol
LogP5.88
Rot. Bonds10

About triethoxy-[2-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-2,4-dihydro-1,3-benzoxazin-3-yl]ethyl]silane

triethoxy-[2-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-2,4-dihydro-1,3-benzoxazin-3-yl]ethyl]silane (PubChem CID 89432157) has the molecular formula C28H34NO6PSi and a molecular weight of 539.64 g/mol. Its IUPAC name is triethoxy-[2-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-2,4-dihydro-1,3-benzoxazin-3-yl]ethyl]silane.

Molecular Properties

Compound Nametriethoxy-[2-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-2,4-dihydro-1,3-benzoxazin-3-yl]ethyl]silane
PubChem CID89432157
Molecular FormulaC28H34NO6PSi
Molecular Weight539.64 g/mol
Exact Mass539.19
IUPAC Nametriethoxy-[2-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-2,4-dihydro-1,3-benzoxazin-3-yl]ethyl]silane
SMILESCCO[Si](CCN1Cc2ccccc2OC1P1(=O)Oc2ccccc2-c2ccccc21)(OCC)OCC
InChIInChI=1S/C28H34NO6PSi/c1-4-31-37(32-5-2,33-6-3)20-19-29-21-22-13-7-10-16-25(22)34-28(29)36(30)27-18-12-9-15-24(27)23-14-8-11-17-26(23)35-36/h7-18,28H,4-6,19-21H2,1-3H3
InChIKeyRKFBZFYTEDSALR-UHFFFAOYSA-N
XLogP5.88
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.64
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethoxy-[2-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-2,4-dihydro-1,3-benzoxazin-3-yl]ethyl]silane?
The IUPAC name of triethoxy-[2-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-2,4-dihydro-1,3-benzoxazin-3-yl]ethyl]silane (CID 89432157) is triethoxy-[2-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-2,4-dihydro-1,3-benzoxazin-3-yl]ethyl]silane.
What is the SMILES notation for triethoxy-[2-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-2,4-dihydro-1,3-benzoxazin-3-yl]ethyl]silane?
The canonical SMILES for triethoxy-[2-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-2,4-dihydro-1,3-benzoxazin-3-yl]ethyl]silane is CCO[Si](CCN1Cc2ccccc2OC1P1(=O)Oc2ccccc2-c2ccccc21)(OCC)OCC.
What is the InChIKey of triethoxy-[2-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-2,4-dihydro-1,3-benzoxazin-3-yl]ethyl]silane?
The InChIKey is RKFBZFYTEDSALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34NO6PSi/c1-4-31-37(32-5-2,33-6-3)20-19-29-21-22-13-7-10-16-25(22)34-28(29)36(30)27-18-12-9-15-24(27)23-14-8-11-17-26(23)35-36/h7-18,28H,4-6,19-21H2,1-3H3.
What are the key properties of triethoxy-[2-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-2,4-dihydro-1,3-benzoxazin-3-yl]ethyl]silane?
triethoxy-[2-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-2,4-dihydro-1,3-benzoxazin-3-yl]ethyl]silane has a molecular weight of 539.64 g/mol, XLogP of 5.88, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[2-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-2,4-dihydro-1,3-benzoxazin-3-yl]ethyl]silane is sourced from PubChem (CID 89432157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).