(9-bromo-2-methylnonan-2-yl)-hydroxy-diphenylsilane

C22H31BrOSi — CID 90132778

IUPAC(9-bromo-2-methylnonan-2-yl)-hydroxy-diphenylsilane
SMILESCC(C)(CCCCCCCBr)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H31BrOSi/c1-22(2,18-12-4-3-5-13-19-23)25(24,20-14-8-6-9-15-20)21-16-10-7-11-17-21/h6-11,14-17,24H,3-5,12-13,18-19H2,1-2H3
InChIKeyZJSGYGLUQQMHQO-UHFFFAOYSA-N
MW419.48 g/mol
LogP5.25
Rot. Bonds10

About (9-bromo-2-methylnonan-2-yl)-hydroxy-diphenylsilane

(9-bromo-2-methylnonan-2-yl)-hydroxy-diphenylsilane (PubChem CID 90132778) has the molecular formula C22H31BrOSi and a molecular weight of 419.48 g/mol. Its IUPAC name is (9-bromo-2-methylnonan-2-yl)-hydroxy-diphenylsilane.

Molecular Properties

Compound Name(9-bromo-2-methylnonan-2-yl)-hydroxy-diphenylsilane
PubChem CID90132778
Molecular FormulaC22H31BrOSi
Molecular Weight419.48 g/mol
Exact Mass418.13
IUPAC Name(9-bromo-2-methylnonan-2-yl)-hydroxy-diphenylsilane
SMILESCC(C)(CCCCCCCBr)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H31BrOSi/c1-22(2,18-12-4-3-5-13-19-23)25(24,20-14-8-6-9-15-20)21-16-10-7-11-17-21/h6-11,14-17,24H,3-5,12-13,18-19H2,1-2H3
InChIKeyZJSGYGLUQQMHQO-UHFFFAOYSA-N
XLogP5.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

12-[hydroxy(diphenyl)silyl]-12-methyltridecan-1-ol
CID 67477526
hydroxy-(2-methyl-6-phenylhexan-2-yl)-diphenylsilane
CID 70887086
(Z)-15-[hydroxy(diphenyl)silyl]-15-methylhexadec-8-en-1-ol
CID 90132776
9-[hydroxy(diphenyl)silyl]-9-methyldecan-4-amine
CID 70334258
hydroxy-(8-iodo-2,6,6-trimethylnon-8-en-2-yl)-diphenylsilane
CID 88918102
hydroxy-(2-methyl-13-nonoxytridec-10-yn-2-yl)-diphenylsilane
CID 70879858
5-[hydroxy(diphenyl)silyl]-5-methyl-1-sulfanylhexan-2-ol
CID 89193381
hydroxy-(2-methyl-4-piperidin-4-ylbutan-2-yl)-diphenylsilane
CID 171400301
8-bromo-2-methyl-2-phenyloctane-1,1-diol
CID 54137380
6-[hydroxy(diphenyl)silyl]-6-methylhept-1-ene-3-thiol
CID 89032425
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
6-bromo-2-methyl-2-phenylhexan-1-ol
CID 11300228

Frequently Asked Questions

What is the IUPAC name of (9-bromo-2-methylnonan-2-yl)-hydroxy-diphenylsilane?
The IUPAC name of (9-bromo-2-methylnonan-2-yl)-hydroxy-diphenylsilane (CID 90132778) is (9-bromo-2-methylnonan-2-yl)-hydroxy-diphenylsilane.
What is the SMILES notation for (9-bromo-2-methylnonan-2-yl)-hydroxy-diphenylsilane?
The canonical SMILES for (9-bromo-2-methylnonan-2-yl)-hydroxy-diphenylsilane is CC(C)(CCCCCCCBr)[Si](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (9-bromo-2-methylnonan-2-yl)-hydroxy-diphenylsilane?
The InChIKey is ZJSGYGLUQQMHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31BrOSi/c1-22(2,18-12-4-3-5-13-19-23)25(24,20-14-8-6-9-15-20)21-16-10-7-11-17-21/h6-11,14-17,24H,3-5,12-13,18-19H2,1-2H3.
What are the key properties of (9-bromo-2-methylnonan-2-yl)-hydroxy-diphenylsilane?
(9-bromo-2-methylnonan-2-yl)-hydroxy-diphenylsilane has a molecular weight of 419.48 g/mol, XLogP of 5.25, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9-bromo-2-methylnonan-2-yl)-hydroxy-diphenylsilane is sourced from PubChem (CID 90132778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).