[2-(4-tert-butylphenyl)cyclohexen-1-yl]-trimethylsilane

C19H30Si — CID 132961701

IUPAC[2-(4-tert-butylphenyl)cyclohexen-1-yl]-trimethylsilane
SMILESCC(C)(C)c1ccc(C2=C([Si](C)(C)C)CCCC2)cc1
InChIInChI=1S/C19H30Si/c1-19(2,3)16-13-11-15(12-14-16)17-9-7-8-10-18(17)20(4,5)6/h11-14H,7-10H2,1-6H3
InChIKeyUTBXJEFQJGNYFT-UHFFFAOYSA-N
MW286.54 g/mol
LogP6.19
Rot. Bonds2

About [2-(4-tert-butylphenyl)cyclohexen-1-yl]-trimethylsilane

[2-(4-tert-butylphenyl)cyclohexen-1-yl]-trimethylsilane (PubChem CID 132961701) has the molecular formula C19H30Si and a molecular weight of 286.54 g/mol. Its IUPAC name is [2-(4-tert-butylphenyl)cyclohexen-1-yl]-trimethylsilane.

Molecular Properties

Compound Name[2-(4-tert-butylphenyl)cyclohexen-1-yl]-trimethylsilane
PubChem CID132961701
Molecular FormulaC19H30Si
Molecular Weight286.54 g/mol
Exact Mass286.21
IUPAC Name[2-(4-tert-butylphenyl)cyclohexen-1-yl]-trimethylsilane
SMILESCC(C)(C)c1ccc(C2=C([Si](C)(C)C)CCCC2)cc1
InChIInChI=1S/C19H30Si/c1-19(2,3)16-13-11-15(12-14-16)17-9-7-8-10-18(17)20(4,5)6/h11-14H,7-10H2,1-6H3
InChIKeyUTBXJEFQJGNYFT-UHFFFAOYSA-N
XLogP6.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.54
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylphenyl)cyclohexen-1-yl]-trimethylsilane?
The IUPAC name of [2-(4-tert-butylphenyl)cyclohexen-1-yl]-trimethylsilane (CID 132961701) is [2-(4-tert-butylphenyl)cyclohexen-1-yl]-trimethylsilane.
What is the SMILES notation for [2-(4-tert-butylphenyl)cyclohexen-1-yl]-trimethylsilane?
The canonical SMILES for [2-(4-tert-butylphenyl)cyclohexen-1-yl]-trimethylsilane is CC(C)(C)c1ccc(C2=C([Si](C)(C)C)CCCC2)cc1.
What is the InChIKey of [2-(4-tert-butylphenyl)cyclohexen-1-yl]-trimethylsilane?
The InChIKey is UTBXJEFQJGNYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30Si/c1-19(2,3)16-13-11-15(12-14-16)17-9-7-8-10-18(17)20(4,5)6/h11-14H,7-10H2,1-6H3.
What are the key properties of [2-(4-tert-butylphenyl)cyclohexen-1-yl]-trimethylsilane?
[2-(4-tert-butylphenyl)cyclohexen-1-yl]-trimethylsilane has a molecular weight of 286.54 g/mol, XLogP of 6.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylphenyl)cyclohexen-1-yl]-trimethylsilane is sourced from PubChem (CID 132961701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).