triethoxy-[2-[(6R)-6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl]ethyl]silane

C20H27O5PSi — CID 157290847

IUPACtriethoxy-[2-[(6R)-6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl]ethyl]silane
SMILESCCO[Si](CC[P@@]1(=O)Oc2ccccc2-c2ccccc21)(OCC)OCC
InChIInChI=1S/C20H27O5PSi/c1-4-22-27(23-5-2,24-6-3)16-15-26(21)20-14-10-8-12-18(20)17-11-7-9-13-19(17)25-26/h7-14H,4-6,15-16H2,1-3H3/t26-/m1/s1
InChIKeyBAUAOAULDJMZMI-AREMUKBSSA-N
MW406.49 g/mol
LogP4.70
Rot. Bonds9

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

triethoxy-[2-[(6R)-6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl]ethyl]silane (PubChem CID 157290847) has the molecular formula C20H27O5PSi and a molecular weight of 406.49 g/mol. Its IUPAC name is triethoxy-[2-[(6R)-6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl]ethyl]silane.

Molecular Properties

Compound Nametriethoxy-[2-[(6R)-6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl]ethyl]silane
PubChem CID157290847
Molecular FormulaC20H27O5PSi
Molecular Weight406.49 g/mol
Exact Mass406.14
IUPAC Nametriethoxy-[2-[(6R)-6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl]ethyl]silane
SMILESCCO[Si](CC[P@@]1(=O)Oc2ccccc2-c2ccccc21)(OCC)OCC
InChIInChI=1S/C20H27O5PSi/c1-4-22-27(23-5-2,24-6-3)16-15-26(21)20-14-10-8-12-18(20)17-11-7-9-13-19(17)25-26/h7-14H,4-6,15-16H2,1-3H3/t26-/m1/s1
InChIKeyBAUAOAULDJMZMI-AREMUKBSSA-N
XLogP4.70
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze triethoxy-[2-[(6R)-6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl]ethyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

triethoxy-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]silane
CID 161173372
6-(3,3-dimethylbutyl)benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 58986432
methylamino 3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propanoate
CID 123501357
CID 157451486
CID 157451486
triethoxy-[2-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-2,4-dihydro-1,3-benzoxazin-3-yl]ethyl]silane
CID 89432157
6-[4-[[4,6-bis(2-methylbutoxy)-1,3,5-triazin-2-yl]oxy]butyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 123748033
1,3-bis[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)ethyl]-5-(2-propoxyethyl)-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis[2-[2-[2,4,6-trioxo-3,5-bis[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)ethyl]-1,3,5-triazinan-1-yl]ethoxy]ethyl]-1,3,5-triazinane-2,4,6-trione
CID 90943817
N,N-bis[2-[bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]amino]ethyl]-N',N'-bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]ethane-1,2-diamine
CID 164746026
6-prop-2-ynylbenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 174185485
1-[4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]butan-2-ol
CID 23594103
1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-3-(3-trimethoxysilylpropoxy)propan-2-ol
CID 101258265
3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propane-1,2-diol
CID 20662894

Frequently Asked Questions

What is the IUPAC name of triethoxy-[2-[(6R)-6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl]ethyl]silane?
The IUPAC name of triethoxy-[2-[(6R)-6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl]ethyl]silane (CID 157290847) is triethoxy-[2-[(6R)-6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl]ethyl]silane.
What is the SMILES notation for triethoxy-[2-[(6R)-6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl]ethyl]silane?
The canonical SMILES for triethoxy-[2-[(6R)-6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl]ethyl]silane is CCO[Si](CC[P@@]1(=O)Oc2ccccc2-c2ccccc21)(OCC)OCC.
What is the InChIKey of triethoxy-[2-[(6R)-6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl]ethyl]silane?
The InChIKey is BAUAOAULDJMZMI-AREMUKBSSA-N. The full InChI is InChI=1S/C20H27O5PSi/c1-4-22-27(23-5-2,24-6-3)16-15-26(21)20-14-10-8-12-18(20)17-11-7-9-13-19(17)25-26/h7-14H,4-6,15-16H2,1-3H3/t26-/m1/s1.
What are the key properties of triethoxy-[2-[(6R)-6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl]ethyl]silane?
triethoxy-[2-[(6R)-6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl]ethyl]silane has a molecular weight of 406.49 g/mol, XLogP of 4.70, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[2-[(6R)-6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl]ethyl]silane is sourced from PubChem (CID 157290847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).