4-[dimethyl(phenyl)silyl]-2-methyl-3,4-diphenylbutan-2-ol

C25H30OSi — CID 10248860

IUPAC4-[dimethyl(phenyl)silyl]-2-methyl-3,4-diphenylbutan-2-ol
SMILESCC(C)(O)C(c1ccccc1)C(c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C25H30OSi/c1-25(2,26)23(20-14-8-5-9-15-20)24(21-16-10-6-11-17-21)27(3,4)22-18-12-7-13-19-22/h5-19,23-24,26H,1-4H3
InChIKeyWUVZPAKJYDLJQU-UHFFFAOYSA-N
MW374.60 g/mol
LogP5.48
Rot. Bonds6

About 4-[dimethyl(phenyl)silyl]-2-methyl-3,4-diphenylbutan-2-ol

4-[dimethyl(phenyl)silyl]-2-methyl-3,4-diphenylbutan-2-ol (PubChem CID 10248860) has the molecular formula C25H30OSi and a molecular weight of 374.60 g/mol. Its IUPAC name is 4-[dimethyl(phenyl)silyl]-2-methyl-3,4-diphenylbutan-2-ol.

Molecular Properties

Compound Name4-[dimethyl(phenyl)silyl]-2-methyl-3,4-diphenylbutan-2-ol
PubChem CID10248860
Molecular FormulaC25H30OSi
Molecular Weight374.60 g/mol
Exact Mass374.21
IUPAC Name4-[dimethyl(phenyl)silyl]-2-methyl-3,4-diphenylbutan-2-ol
SMILESCC(C)(O)C(c1ccccc1)C(c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C25H30OSi/c1-25(2,26)23(20-14-8-5-9-15-20)24(21-16-10-6-11-17-21)27(3,4)22-18-12-7-13-19-22/h5-19,23-24,26H,1-4H3
InChIKeyWUVZPAKJYDLJQU-UHFFFAOYSA-N
XLogP5.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.60
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[dimethyl(phenyl)silyl]-2-methyl-3,4-diphenylbutan-2-ol?
The IUPAC name of 4-[dimethyl(phenyl)silyl]-2-methyl-3,4-diphenylbutan-2-ol (CID 10248860) is 4-[dimethyl(phenyl)silyl]-2-methyl-3,4-diphenylbutan-2-ol.
What is the SMILES notation for 4-[dimethyl(phenyl)silyl]-2-methyl-3,4-diphenylbutan-2-ol?
The canonical SMILES for 4-[dimethyl(phenyl)silyl]-2-methyl-3,4-diphenylbutan-2-ol is CC(C)(O)C(c1ccccc1)C(c1ccccc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of 4-[dimethyl(phenyl)silyl]-2-methyl-3,4-diphenylbutan-2-ol?
The InChIKey is WUVZPAKJYDLJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30OSi/c1-25(2,26)23(20-14-8-5-9-15-20)24(21-16-10-6-11-17-21)27(3,4)22-18-12-7-13-19-22/h5-19,23-24,26H,1-4H3.
What are the key properties of 4-[dimethyl(phenyl)silyl]-2-methyl-3,4-diphenylbutan-2-ol?
4-[dimethyl(phenyl)silyl]-2-methyl-3,4-diphenylbutan-2-ol has a molecular weight of 374.60 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethyl(phenyl)silyl]-2-methyl-3,4-diphenylbutan-2-ol is sourced from PubChem (CID 10248860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).