butan-2-ylbenzene;(4-butan-2-ylphenyl)-trimethylsilane

C23H36Si — CID 161102550

IUPACbutan-2-ylbenzene;(4-butan-2-ylphenyl)-trimethylsilane
SMILESCCC(C)c1ccc([Si](C)(C)C)cc1.CCC(C)c1ccccc1
InChIInChI=1S/C13H22Si.C10H14/c1-6-11(2)12-7-9-13(10-8-12)14(3,4)5;1-3-9(2)10-7-5-4-6-8-10/h7-11H,6H2,1-5H3;4-9H,3H2,1-2H3
InChIKeyUIPVWQBLZQLPAU-UHFFFAOYSA-N
MW340.63 g/mol
LogP6.95
Rot. Bonds5

About butan-2-ylbenzene;(4-butan-2-ylphenyl)-trimethylsilane

butan-2-ylbenzene;(4-butan-2-ylphenyl)-trimethylsilane (PubChem CID 161102550) has the molecular formula C23H36Si and a molecular weight of 340.63 g/mol. Its IUPAC name is butan-2-ylbenzene;(4-butan-2-ylphenyl)-trimethylsilane.

Molecular Properties

Compound Namebutan-2-ylbenzene;(4-butan-2-ylphenyl)-trimethylsilane
PubChem CID161102550
Molecular FormulaC23H36Si
Molecular Weight340.63 g/mol
Exact Mass340.26
IUPAC Namebutan-2-ylbenzene;(4-butan-2-ylphenyl)-trimethylsilane
SMILESCCC(C)c1ccc([Si](C)(C)C)cc1.CCC(C)c1ccccc1
InChIInChI=1S/C13H22Si.C10H14/c1-6-11(2)12-7-9-13(10-8-12)14(3,4)5;1-3-9(2)10-7-5-4-6-8-10/h7-11H,6H2,1-5H3;4-9H,3H2,1-2H3
InChIKeyUIPVWQBLZQLPAU-UHFFFAOYSA-N
XLogP6.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.63
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(4-butan-2-ylphenyl)-dihydroxysilane
CID 67121260
1-(4-butan-2-ylphenyl)-N-methyl-1-phenylmethanamine
CID 43483039
butan-2-ylbenzene;ethyl(trimethyl)azanium;chloride
CID 169426198
butan-2-ylbenzene;1,4-di(butan-2-yl)benzene;hydron;methanesulfonate
CID 162215366
2-[4-(4-butan-2-ylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 23522274
1-butan-2-yl-4-(1-phenylethoxy)benzene
CID 58079027
1-butan-2-yl-4-(4,6-diphenyloctan-2-yl)benzene
CID 23386381
1-(4-butan-2-ylphenyl)-2-phenylethane-1,2-dithione
CID 18994097
azidoethane;butan-2-ylbenzene
CID 161488287
ethane;methane;propane;trimethyl(phenyl)silane
CID 158039342
9-(4-butan-2-ylphenyl)-10-(4-phenylphenyl)anthracene
CID 58602181
1-(4-butan-2-ylphenoxy)-1-phenylpropan-2-amine
CID 107663944

Frequently Asked Questions

What is the IUPAC name of butan-2-ylbenzene;(4-butan-2-ylphenyl)-trimethylsilane?
The IUPAC name of butan-2-ylbenzene;(4-butan-2-ylphenyl)-trimethylsilane (CID 161102550) is butan-2-ylbenzene;(4-butan-2-ylphenyl)-trimethylsilane.
What is the SMILES notation for butan-2-ylbenzene;(4-butan-2-ylphenyl)-trimethylsilane?
The canonical SMILES for butan-2-ylbenzene;(4-butan-2-ylphenyl)-trimethylsilane is CCC(C)c1ccc([Si](C)(C)C)cc1.CCC(C)c1ccccc1.
What is the InChIKey of butan-2-ylbenzene;(4-butan-2-ylphenyl)-trimethylsilane?
The InChIKey is UIPVWQBLZQLPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22Si.C10H14/c1-6-11(2)12-7-9-13(10-8-12)14(3,4)5;1-3-9(2)10-7-5-4-6-8-10/h7-11H,6H2,1-5H3;4-9H,3H2,1-2H3.
What are the key properties of butan-2-ylbenzene;(4-butan-2-ylphenyl)-trimethylsilane?
butan-2-ylbenzene;(4-butan-2-ylphenyl)-trimethylsilane has a molecular weight of 340.63 g/mol, XLogP of 6.95, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ylbenzene;(4-butan-2-ylphenyl)-trimethylsilane is sourced from PubChem (CID 161102550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).