bis(2-acetyl-5-methoxyphenyl) [2-[bis(2-acetyl-5-methoxyphenoxy)phosphanyloxy-dimethylsilyl]phenyl] phosphite

C44H46O14P2Si — CID 58610847

IUPACbis(2-acetyl-5-methoxyphenyl) [2-[bis(2-acetyl-5-methoxyphenoxy)phosphanyloxy-dimethylsilyl]phenyl] phosphite
SMILESCOc1ccc(C(C)=O)c(OP(Oc2cc(OC)ccc2C(C)=O)Oc2ccccc2[Si](C)(C)OP(Oc2cc(OC)ccc2C(C)=O)Oc2cc(OC)ccc2C(C)=O)c1
InChIInChI=1S/C44H46O14P2Si/c1-27(45)35-19-15-31(49-5)23-40(35)54-59(55-41-24-32(50-6)16-20-36(41)28(2)46)53-39-13-11-12-14-44(39)61(9,10)58-60(56-42-25-33(51-7)17-21-37(42)29(3)47)57-43-26-34(52-8)18-22-38(43)30(4)48/h11-26H,1-10H3
InChIKeyQRZQICNGSWIKHV-UHFFFAOYSA-N
MW888.87 g/mol
LogP10.11
Rot. Bonds21

About bis(2-acetyl-5-methoxyphenyl) [2-[bis(2-acetyl-5-methoxyphenoxy)phosphanyloxy-dimethylsilyl]phenyl] phosphite

bis(2-acetyl-5-methoxyphenyl) [2-[bis(2-acetyl-5-methoxyphenoxy)phosphanyloxy-dimethylsilyl]phenyl] phosphite (PubChem CID 58610847) has the molecular formula C44H46O14P2Si and a molecular weight of 888.87 g/mol. Its IUPAC name is bis(2-acetyl-5-methoxyphenyl) [2-[bis(2-acetyl-5-methoxyphenoxy)phosphanyloxy-dimethylsilyl]phenyl] phosphite.

Molecular Properties

Compound Namebis(2-acetyl-5-methoxyphenyl) [2-[bis(2-acetyl-5-methoxyphenoxy)phosphanyloxy-dimethylsilyl]phenyl] phosphite
PubChem CID58610847
Molecular FormulaC44H46O14P2Si
Molecular Weight888.87 g/mol
Exact Mass888.21
IUPAC Namebis(2-acetyl-5-methoxyphenyl) [2-[bis(2-acetyl-5-methoxyphenoxy)phosphanyloxy-dimethylsilyl]phenyl] phosphite
SMILESCOc1ccc(C(C)=O)c(OP(Oc2cc(OC)ccc2C(C)=O)Oc2ccccc2[Si](C)(C)OP(Oc2cc(OC)ccc2C(C)=O)Oc2cc(OC)ccc2C(C)=O)c1
InChIInChI=1S/C44H46O14P2Si/c1-27(45)35-19-15-31(49-5)23-40(35)54-59(55-41-24-32(50-6)16-20-36(41)28(2)46)53-39-13-11-12-14-44(39)61(9,10)58-60(56-42-25-33(51-7)17-21-37(42)29(3)47)57-43-26-34(52-8)18-22-38(43)30(4)48/h11-26H,1-10H3
InChIKeyQRZQICNGSWIKHV-UHFFFAOYSA-N
XLogP10.11
TPSA160.58 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500888.87
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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-[2-bis(2-methylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-methylphenyl) phosphite
CID 58931668
[2-[2-bis(2-methoxyphenoxy)phosphanyloxybenzoyl]-5-methoxyphenyl] bis(2-methoxyphenyl) phosphite
CID 58931610
[2-(2-dipyridin-3-yloxyphosphanyloxybenzoyl)-5-methoxyphenyl] dipyridin-3-yl phosphite
CID 58931598
1-(4-methoxy-2-trimethylsilyloxyphenyl)ethanone
CID 6425501
[2-[2-bis(2-formylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-formylphenyl) phosphite
CID 89185095
1-(4-methoxy-2-pentan-3-yloxyphenyl)ethanone
CID 82001376
2-(2-acetyl-5-methoxyphenoxy)-2-fluoro-1-phenylethanone
CID 162404401
1-[4-methoxy-2-(oxan-4-yloxy)phenyl]ethanone
CID 82001609
[2-[2-bis(2-tert-butylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] (2-tert-butylphenyl) (2-propan-2-ylphenyl) phosphite
CID 58640381
hexakis(2-acetyl-5-methoxyphenolate);tris(manganese(2+))
CID 139070317
1-[4-methoxy-2-(quinolin-8-ylmethoxy)phenyl]ethanone
CID 33079900
1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone
CID 112640642

Frequently Asked Questions

What is the IUPAC name of bis(2-acetyl-5-methoxyphenyl) [2-[bis(2-acetyl-5-methoxyphenoxy)phosphanyloxy-dimethylsilyl]phenyl] phosphite?
The IUPAC name of bis(2-acetyl-5-methoxyphenyl) [2-[bis(2-acetyl-5-methoxyphenoxy)phosphanyloxy-dimethylsilyl]phenyl] phosphite (CID 58610847) is bis(2-acetyl-5-methoxyphenyl) [2-[bis(2-acetyl-5-methoxyphenoxy)phosphanyloxy-dimethylsilyl]phenyl] phosphite.
What is the SMILES notation for bis(2-acetyl-5-methoxyphenyl) [2-[bis(2-acetyl-5-methoxyphenoxy)phosphanyloxy-dimethylsilyl]phenyl] phosphite?
The canonical SMILES for bis(2-acetyl-5-methoxyphenyl) [2-[bis(2-acetyl-5-methoxyphenoxy)phosphanyloxy-dimethylsilyl]phenyl] phosphite is COc1ccc(C(C)=O)c(OP(Oc2cc(OC)ccc2C(C)=O)Oc2ccccc2[Si](C)(C)OP(Oc2cc(OC)ccc2C(C)=O)Oc2cc(OC)ccc2C(C)=O)c1.
What is the InChIKey of bis(2-acetyl-5-methoxyphenyl) [2-[bis(2-acetyl-5-methoxyphenoxy)phosphanyloxy-dimethylsilyl]phenyl] phosphite?
The InChIKey is QRZQICNGSWIKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H46O14P2Si/c1-27(45)35-19-15-31(49-5)23-40(35)54-59(55-41-24-32(50-6)16-20-36(41)28(2)46)53-39-13-11-12-14-44(39)61(9,10)58-60(56-42-25-33(51-7)17-21-37(42)29(3)47)57-43-26-34(52-8)18-22-38(43)30(4)48/h11-26H,1-10H3.
What are the key properties of bis(2-acetyl-5-methoxyphenyl) [2-[bis(2-acetyl-5-methoxyphenoxy)phosphanyloxy-dimethylsilyl]phenyl] phosphite?
bis(2-acetyl-5-methoxyphenyl) [2-[bis(2-acetyl-5-methoxyphenoxy)phosphanyloxy-dimethylsilyl]phenyl] phosphite has a molecular weight of 888.87 g/mol, XLogP of 10.11, 21 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-acetyl-5-methoxyphenyl) [2-[bis(2-acetyl-5-methoxyphenoxy)phosphanyloxy-dimethylsilyl]phenyl] phosphite is sourced from PubChem (CID 58610847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).