3-[dimethyl(phenyl)silyl]but-3-en-2-ol

C12H18OSi — CID 10035913

IUPAC3-[dimethyl(phenyl)silyl]but-3-en-2-ol
SMILESC=C(C(C)O)[Si](C)(C)c1ccccc1
InChIInChI=1S/C12H18OSi/c1-10(13)11(2)14(3,4)12-8-6-5-7-9-12/h5-10,13H,2H2,1,3-4H3
InChIKeyCSMMEDRJEBLYGV-UHFFFAOYSA-N
MW206.36 g/mol
LogP2.08
Rot. Bonds3

About 3-[dimethyl(phenyl)silyl]but-3-en-2-ol

3-[dimethyl(phenyl)silyl]but-3-en-2-ol (PubChem CID 10035913) has the molecular formula C12H18OSi and a molecular weight of 206.36 g/mol. Its IUPAC name is 3-[dimethyl(phenyl)silyl]but-3-en-2-ol.

Molecular Properties

Compound Name3-[dimethyl(phenyl)silyl]but-3-en-2-ol
PubChem CID10035913
Molecular FormulaC12H18OSi
Molecular Weight206.36 g/mol
Exact Mass206.11
IUPAC Name3-[dimethyl(phenyl)silyl]but-3-en-2-ol
SMILESC=C(C(C)O)[Si](C)(C)c1ccccc1
InChIInChI=1S/C12H18OSi/c1-10(13)11(2)14(3,4)12-8-6-5-7-9-12/h5-10,13H,2H2,1,3-4H3
InChIKeyCSMMEDRJEBLYGV-UHFFFAOYSA-N
XLogP2.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.36
LogP ≤ 52.08
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

Ethoxydimethylphenylsilane
CID 15770
Benzene, (diethoxymethylsilyl)-
CID 69891
[Dimethyl(phenyl)silyl]methanol
CID 4613399
1-Dimethyl(phenyl)silyloxybutane
CID 606298
Ethanol, 2-(methyldiphenylsilyl)-
CID 170302
Diphenyl(4-hydroxybutyl)methylsilane
CID 4583561
(1-Hydroxyethyl)dimethyl(phenyl)silane
CID 262870
1-[Dimethyl(phenyl)silyl]-2,2,2-trifluoroethanol
CID 155931070
4-[Dimethyl(phenyl)silyl]but-3-yn-2-ol
CID 11074499
3-[Dimethyl(phenyl)silyl]propan-1-ol
CID 2755274
2-Propen-1-ol, 3-(dimethylphenylsilyl)-, (2E)-
CID 9990165
(E)-1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-ol
CID 10889736

Frequently Asked Questions

What is the IUPAC name of 3-[dimethyl(phenyl)silyl]but-3-en-2-ol?
The IUPAC name of 3-[dimethyl(phenyl)silyl]but-3-en-2-ol (CID 10035913) is 3-[dimethyl(phenyl)silyl]but-3-en-2-ol.
What is the SMILES notation for 3-[dimethyl(phenyl)silyl]but-3-en-2-ol?
The canonical SMILES for 3-[dimethyl(phenyl)silyl]but-3-en-2-ol is C=C(C(C)O)[Si](C)(C)c1ccccc1.
What is the InChIKey of 3-[dimethyl(phenyl)silyl]but-3-en-2-ol?
The InChIKey is CSMMEDRJEBLYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OSi/c1-10(13)11(2)14(3,4)12-8-6-5-7-9-12/h5-10,13H,2H2,1,3-4H3.
What are the key properties of 3-[dimethyl(phenyl)silyl]but-3-en-2-ol?
3-[dimethyl(phenyl)silyl]but-3-en-2-ol has a molecular weight of 206.36 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl(phenyl)silyl]but-3-en-2-ol is sourced from PubChem (CID 10035913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).