(4-tert-butylcyclohexa-1,4-dien-1-yl)-trimethylsilane

C13H24Si — CID 10058907

IUPAC(4-tert-butylcyclohexa-1,4-dien-1-yl)-trimethylsilane
SMILESCC(C)(C)C1=CCC([Si](C)(C)C)=CC1
InChIInChI=1S/C13H24Si/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7,10H,8-9H2,1-6H3
InChIKeyJJKYLGNOIADXLR-UHFFFAOYSA-N
MW208.42 g/mol
LogP4.56
Rot. Bonds1

About (4-tert-butylcyclohexa-1,4-dien-1-yl)-trimethylsilane

(4-tert-butylcyclohexa-1,4-dien-1-yl)-trimethylsilane (PubChem CID 10058907) has the molecular formula C13H24Si and a molecular weight of 208.42 g/mol. Its IUPAC name is (4-tert-butylcyclohexa-1,4-dien-1-yl)-trimethylsilane.

Molecular Properties

Compound Name(4-tert-butylcyclohexa-1,4-dien-1-yl)-trimethylsilane
PubChem CID10058907
Molecular FormulaC13H24Si
Molecular Weight208.42 g/mol
Exact Mass208.16
IUPAC Name(4-tert-butylcyclohexa-1,4-dien-1-yl)-trimethylsilane
SMILESCC(C)(C)C1=CCC([Si](C)(C)C)=CC1
InChIInChI=1S/C13H24Si/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7,10H,8-9H2,1-6H3
InChIKeyJJKYLGNOIADXLR-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.42
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

((2E)-3,7-Dimethyl-2,6-octadien-1-yl)trimethylsilane
CID 10954825
(2,4-Dimethylcyclohexa-1,4-dien-1-yl)-trimethylsilane
CID 134857856
(4-Tert-butyl-1-cyclohexen-1-yl)(trimethyl)silane
CID 11052929
2-Cyclohexene, 5,5-dimethyl-1-dimethylfluorosilyl-1-trimethylsilyl-
CID 597120
3-(Dimethylfluorosilyl)-3,7-dimethyl-1,6-octadiene
CID 101621262
trimethyl-[(E)-2-methylhept-2-enyl]silane
CID 12661442
[(2Z)-3,7-dimethylocta-2,6-dienyl]-trimethylsilane
CID 12663711
(4,4-Dimethylcyclohexen-1-yl)-trimethylsilane
CID 12668514
3,7-Dimethylocta-1,6-dien-3-yl(trimethyl)silane
CID 13330070
1-t-Butyl-5-trimethylsilyl-1,3-cyclohexadiene
CID 14984258
1,1,3,3-Tetramethyl-5-methylidenesilinane
CID 164673295
(3-Ethenyl-3,7-dimethyloct-6-en-1-ynyl)-trimethylsilane
CID 9991646

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexa-1,4-dien-1-yl)-trimethylsilane?
The IUPAC name of (4-tert-butylcyclohexa-1,4-dien-1-yl)-trimethylsilane (CID 10058907) is (4-tert-butylcyclohexa-1,4-dien-1-yl)-trimethylsilane.
What is the SMILES notation for (4-tert-butylcyclohexa-1,4-dien-1-yl)-trimethylsilane?
The canonical SMILES for (4-tert-butylcyclohexa-1,4-dien-1-yl)-trimethylsilane is CC(C)(C)C1=CCC([Si](C)(C)C)=CC1.
What is the InChIKey of (4-tert-butylcyclohexa-1,4-dien-1-yl)-trimethylsilane?
The InChIKey is JJKYLGNOIADXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24Si/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7,10H,8-9H2,1-6H3.
What are the key properties of (4-tert-butylcyclohexa-1,4-dien-1-yl)-trimethylsilane?
(4-tert-butylcyclohexa-1,4-dien-1-yl)-trimethylsilane has a molecular weight of 208.42 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexa-1,4-dien-1-yl)-trimethylsilane is sourced from PubChem (CID 10058907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).