[4-[diethoxy(methyl)silyl]phenyl]-diphenylphosphane

C23H27O2PSi — CID 14664726

IUPAC[4-[diethoxy(methyl)silyl]phenyl]-diphenylphosphane
SMILESCCO[Si](C)(OCC)c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H27O2PSi/c1-4-24-27(3,25-5-2)23-18-16-22(17-19-23)26(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-19H,4-5H2,1-3H3
InChIKeyMMXWMBBRWZZDBJ-UHFFFAOYSA-N
MW394.53 g/mol
LogP3.80
Rot. Bonds8

About [4-[diethoxy(methyl)silyl]phenyl]-diphenylphosphane

[4-[diethoxy(methyl)silyl]phenyl]-diphenylphosphane (PubChem CID 14664726) has the molecular formula C23H27O2PSi and a molecular weight of 394.53 g/mol. Its IUPAC name is [4-[diethoxy(methyl)silyl]phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[4-[diethoxy(methyl)silyl]phenyl]-diphenylphosphane
PubChem CID14664726
Molecular FormulaC23H27O2PSi
Molecular Weight394.53 g/mol
Exact Mass394.15
IUPAC Name[4-[diethoxy(methyl)silyl]phenyl]-diphenylphosphane
SMILESCCO[Si](C)(OCC)c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H27O2PSi/c1-4-24-27(3,25-5-2)23-18-16-22(17-19-23)26(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-19H,4-5H2,1-3H3
InChIKeyMMXWMBBRWZZDBJ-UHFFFAOYSA-N
XLogP3.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.53
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [4-[diethoxy(methyl)silyl]phenyl]-diphenylphosphane?
The IUPAC name of [4-[diethoxy(methyl)silyl]phenyl]-diphenylphosphane (CID 14664726) is [4-[diethoxy(methyl)silyl]phenyl]-diphenylphosphane.
What is the SMILES notation for [4-[diethoxy(methyl)silyl]phenyl]-diphenylphosphane?
The canonical SMILES for [4-[diethoxy(methyl)silyl]phenyl]-diphenylphosphane is CCO[Si](C)(OCC)c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [4-[diethoxy(methyl)silyl]phenyl]-diphenylphosphane?
The InChIKey is MMXWMBBRWZZDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27O2PSi/c1-4-24-27(3,25-5-2)23-18-16-22(17-19-23)26(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-19H,4-5H2,1-3H3.
What are the key properties of [4-[diethoxy(methyl)silyl]phenyl]-diphenylphosphane?
[4-[diethoxy(methyl)silyl]phenyl]-diphenylphosphane has a molecular weight of 394.53 g/mol, XLogP of 3.80, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[diethoxy(methyl)silyl]phenyl]-diphenylphosphane is sourced from PubChem (CID 14664726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).