bis(4-butan-2-ylphenyl)-dihydroxysilane

C20H28O2Si — CID 67121260

IUPACbis(4-butan-2-ylphenyl)-dihydroxysilane
SMILESCCC(C)c1ccc([Si](O)(O)c2ccc(C(C)CC)cc2)cc1
InChIInChI=1S/C20H28O2Si/c1-5-15(3)17-7-11-19(12-8-17)23(21,22)20-13-9-18(10-14-20)16(4)6-2/h7-16,21-22H,5-6H2,1-4H3
InChIKeyODKGVOAQHQVBNL-UHFFFAOYSA-N
MW328.53 g/mol
LogP3.25
Rot. Bonds6

About bis(4-butan-2-ylphenyl)-dihydroxysilane

bis(4-butan-2-ylphenyl)-dihydroxysilane (PubChem CID 67121260) has the molecular formula C20H28O2Si and a molecular weight of 328.53 g/mol. Its IUPAC name is bis(4-butan-2-ylphenyl)-dihydroxysilane.

Molecular Properties

Compound Namebis(4-butan-2-ylphenyl)-dihydroxysilane
PubChem CID67121260
Molecular FormulaC20H28O2Si
Molecular Weight328.53 g/mol
Exact Mass328.19
IUPAC Namebis(4-butan-2-ylphenyl)-dihydroxysilane
SMILESCCC(C)c1ccc([Si](O)(O)c2ccc(C(C)CC)cc2)cc1
InChIInChI=1S/C20H28O2Si/c1-5-15(3)17-7-11-19(12-8-17)23(21,22)20-13-9-18(10-14-20)16(4)6-2/h7-16,21-22H,5-6H2,1-4H3
InChIKeyODKGVOAQHQVBNL-UHFFFAOYSA-N
XLogP3.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butan-2-ylbenzene;(4-butan-2-ylphenyl)-trimethylsilane
CID 161102550
1-butan-2-yl-4-ethylbenzene;carbanide;zirconium(3+)
CID 58665646
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
1-butan-2-yl-4-fluorobenzene
CID 11829648
2,4,6-tris(4-butan-2-ylphenyl)-1,3,5-triazine
CID 58250690
2-(4-butan-2-ylphenyl)-1,1,1,3,3-pentafluoropropan-2-ol
CID 20756244
1-butan-2-yl-4-chlorobenzene;ethane
CID 91162250
(4-butan-2-ylphenyl)azanium chloride
CID 91157612
2,4,6-tris[4-(4-butan-2-ylphenyl)phenyl]-1,3,5-triazine
CID 58250718
2-[3-(4-butan-2-ylphenyl)pyrazin-2-yl]acetic acid
CID 82488188
4-[(2R)-butan-2-yl]benzenesulfonyl chloride
CID 98062552
4-[(4-butan-2-ylphenyl)methyl]phenol
CID 170030483

Frequently Asked Questions

What is the IUPAC name of bis(4-butan-2-ylphenyl)-dihydroxysilane?
The IUPAC name of bis(4-butan-2-ylphenyl)-dihydroxysilane (CID 67121260) is bis(4-butan-2-ylphenyl)-dihydroxysilane.
What is the SMILES notation for bis(4-butan-2-ylphenyl)-dihydroxysilane?
The canonical SMILES for bis(4-butan-2-ylphenyl)-dihydroxysilane is CCC(C)c1ccc([Si](O)(O)c2ccc(C(C)CC)cc2)cc1.
What is the InChIKey of bis(4-butan-2-ylphenyl)-dihydroxysilane?
The InChIKey is ODKGVOAQHQVBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O2Si/c1-5-15(3)17-7-11-19(12-8-17)23(21,22)20-13-9-18(10-14-20)16(4)6-2/h7-16,21-22H,5-6H2,1-4H3.
What are the key properties of bis(4-butan-2-ylphenyl)-dihydroxysilane?
bis(4-butan-2-ylphenyl)-dihydroxysilane has a molecular weight of 328.53 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-butan-2-ylphenyl)-dihydroxysilane is sourced from PubChem (CID 67121260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).