triethoxy-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]silane

C22H31O5PSi — CID 161173372

IUPACtriethoxy-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]silane
SMILESCCO[Si](CCCCP1(=O)Oc2ccccc2-c2ccccc21)(OCC)OCC
InChIInChI=1S/C22H31O5PSi/c1-4-24-29(25-5-2,26-6-3)18-12-11-17-28(23)22-16-10-8-14-20(22)19-13-7-9-15-21(19)27-28/h7-10,13-16H,4-6,11-12,17-18H2,1-3H3
InChIKeyURMDWSXAXZXXPZ-UHFFFAOYSA-N
MW434.55 g/mol
LogP5.48
Rot. Bonds11

About triethoxy-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]silane

triethoxy-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]silane (PubChem CID 161173372) has the molecular formula C22H31O5PSi and a molecular weight of 434.55 g/mol. Its IUPAC name is triethoxy-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]silane.

Molecular Properties

Compound Nametriethoxy-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]silane
PubChem CID161173372
Molecular FormulaC22H31O5PSi
Molecular Weight434.55 g/mol
Exact Mass434.17
IUPAC Nametriethoxy-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]silane
SMILESCCO[Si](CCCCP1(=O)Oc2ccccc2-c2ccccc21)(OCC)OCC
InChIInChI=1S/C22H31O5PSi/c1-4-24-29(25-5-2,26-6-3)18-12-11-17-28(23)22-16-10-8-14-20(22)19-13-7-9-15-21(19)27-28/h7-10,13-16H,4-6,11-12,17-18H2,1-3H3
InChIKeyURMDWSXAXZXXPZ-UHFFFAOYSA-N
XLogP5.48
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.55
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of triethoxy-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]silane?
The IUPAC name of triethoxy-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]silane (CID 161173372) is triethoxy-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]silane.
What is the SMILES notation for triethoxy-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]silane?
The canonical SMILES for triethoxy-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]silane is CCO[Si](CCCCP1(=O)Oc2ccccc2-c2ccccc21)(OCC)OCC.
What is the InChIKey of triethoxy-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]silane?
The InChIKey is URMDWSXAXZXXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31O5PSi/c1-4-24-29(25-5-2,26-6-3)18-12-11-17-28(23)22-16-10-8-14-20(22)19-13-7-9-15-21(19)27-28/h7-10,13-16H,4-6,11-12,17-18H2,1-3H3.
What are the key properties of triethoxy-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]silane?
triethoxy-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]silane has a molecular weight of 434.55 g/mol, XLogP of 5.48, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]silane is sourced from PubChem (CID 161173372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).