3-phenyl-3-trimethylsilylbutan-1-ol

C13H22OSi — CID 15889374

IUPAC3-phenyl-3-trimethylsilylbutan-1-ol
SMILESCC(CCO)(c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C13H22OSi/c1-13(10-11-14,15(2,3)4)12-8-6-5-7-9-12/h5-9,14H,10-11H2,1-4H3
InChIKeyZBMSKNMXKZUVPC-UHFFFAOYSA-N
MW222.40 g/mol
LogP3.20
Rot. Bonds4

About 3-phenyl-3-trimethylsilylbutan-1-ol

3-phenyl-3-trimethylsilylbutan-1-ol (PubChem CID 15889374) has the molecular formula C13H22OSi and a molecular weight of 222.40 g/mol. Its IUPAC name is 3-phenyl-3-trimethylsilylbutan-1-ol.

Molecular Properties

Compound Name3-phenyl-3-trimethylsilylbutan-1-ol
PubChem CID15889374
Molecular FormulaC13H22OSi
Molecular Weight222.40 g/mol
Exact Mass222.14
IUPAC Name3-phenyl-3-trimethylsilylbutan-1-ol
SMILESCC(CCO)(c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C13H22OSi/c1-13(10-11-14,15(2,3)4)12-8-6-5-7-9-12/h5-9,14H,10-11H2,1-4H3
InChIKeyZBMSKNMXKZUVPC-UHFFFAOYSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-3-phenylpentane-1,5-diol
CID 3019682
3,4-dimethyl-3,4-diphenylhexane-1,6-diol
CID 102025625
(3R)-3-amino-3-phenylbutan-1-ol
CID 96656008
4,4-dimethyl-3-phenylpentane-1,3-diol
CID 135018843
(3S)-3-(methylamino)-3-phenylbutan-1-ol
CID 174606710
dichloro-(1-chloro-2-phenylpropan-2-yl)-methylsilane
CID 69246763
4-hydroxy-2-methyl-2-phenylbutanal
CID 88582805
1,1-diphenylethyl(trimethyl)silane
CID 553309
4-hydroxy-2-methyl-1,2-diphenylbutan-1-one
CID 172768651
(3R)-3-amino-3-phenylpentan-1-ol
CID 124509326
6-phenylheptane-1,6-diol
CID 11310303
3-tritylpentane-1,3,5-triol
CID 139808221

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-trimethylsilylbutan-1-ol?
The IUPAC name of 3-phenyl-3-trimethylsilylbutan-1-ol (CID 15889374) is 3-phenyl-3-trimethylsilylbutan-1-ol.
What is the SMILES notation for 3-phenyl-3-trimethylsilylbutan-1-ol?
The canonical SMILES for 3-phenyl-3-trimethylsilylbutan-1-ol is CC(CCO)(c1ccccc1)[Si](C)(C)C.
What is the InChIKey of 3-phenyl-3-trimethylsilylbutan-1-ol?
The InChIKey is ZBMSKNMXKZUVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OSi/c1-13(10-11-14,15(2,3)4)12-8-6-5-7-9-12/h5-9,14H,10-11H2,1-4H3.
What are the key properties of 3-phenyl-3-trimethylsilylbutan-1-ol?
3-phenyl-3-trimethylsilylbutan-1-ol has a molecular weight of 222.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-trimethylsilylbutan-1-ol is sourced from PubChem (CID 15889374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).