(2,4-dimethylcyclohexa-1,4-dien-1-yl)-trimethylsilane

C11H20Si — CID 134857856

IUPAC(2,4-dimethylcyclohexa-1,4-dien-1-yl)-trimethylsilane
SMILESCC1=CCC([Si](C)(C)C)=C(C)C1
InChIInChI=1S/C11H20Si/c1-9-6-7-11(10(2)8-9)12(3,4)5/h6H,7-8H2,1-5H3
InChIKeyLZPRSHZYCTWFOQ-UHFFFAOYSA-N
MW180.37 g/mol
LogP3.92
Rot. Bonds1

About (2,4-dimethylcyclohexa-1,4-dien-1-yl)-trimethylsilane

(2,4-dimethylcyclohexa-1,4-dien-1-yl)-trimethylsilane (PubChem CID 134857856) has the molecular formula C11H20Si and a molecular weight of 180.37 g/mol. Its IUPAC name is (2,4-dimethylcyclohexa-1,4-dien-1-yl)-trimethylsilane.

Molecular Properties

Compound Name(2,4-dimethylcyclohexa-1,4-dien-1-yl)-trimethylsilane
PubChem CID134857856
Molecular FormulaC11H20Si
Molecular Weight180.37 g/mol
Exact Mass180.13
IUPAC Name(2,4-dimethylcyclohexa-1,4-dien-1-yl)-trimethylsilane
SMILESCC1=CCC([Si](C)(C)C)=C(C)C1
InChIInChI=1S/C11H20Si/c1-9-6-7-11(10(2)8-9)12(3,4)5/h6H,7-8H2,1-5H3
InChIKeyLZPRSHZYCTWFOQ-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.37
LogP ≤ 53.92
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'}

Analyze (2,4-dimethylcyclohexa-1,4-dien-1-yl)-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-Cyclohexen-1-ylethynyl)trimethylsilane
CID 11816203
Silane, 1-cyclohexen-1-yltrimethyl-
CID 552986
Silane, cyclopentenyltrimethyl-
CID 580560
Silane, 2-cyclohexen-1-yltrimethyl-
CID 552562
Silane, (1-cyclohexen-1-ylmethyl)trimethyl-
CID 10964921
Silane, (2-cyclohexylideneethyl)trimethyl-
CID 10976133
1-Triethylsilylcyclohex-1-ene
CID 21680740
2-(Cyclohexen-1-yl)ethynyl-triethyl-silane
CID 134948291
[(E)-3-cyclohexylideneprop-1-enyl]-trimethylsilane
CID 10081354
[(4E)-5,9-dimethyldeca-4,8-dien-1-ynyl]-trimethylsilane
CID 10354026
trimethyl-[(E)-oct-4-en-4-yl]silane
CID 10702656
((2E)-3,7-Dimethyl-2,6-octadien-1-yl)trimethylsilane
CID 10954825

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylcyclohexa-1,4-dien-1-yl)-trimethylsilane?
The IUPAC name of (2,4-dimethylcyclohexa-1,4-dien-1-yl)-trimethylsilane (CID 134857856) is (2,4-dimethylcyclohexa-1,4-dien-1-yl)-trimethylsilane.
What is the SMILES notation for (2,4-dimethylcyclohexa-1,4-dien-1-yl)-trimethylsilane?
The canonical SMILES for (2,4-dimethylcyclohexa-1,4-dien-1-yl)-trimethylsilane is CC1=CCC([Si](C)(C)C)=C(C)C1.
What is the InChIKey of (2,4-dimethylcyclohexa-1,4-dien-1-yl)-trimethylsilane?
The InChIKey is LZPRSHZYCTWFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20Si/c1-9-6-7-11(10(2)8-9)12(3,4)5/h6H,7-8H2,1-5H3.
What are the key properties of (2,4-dimethylcyclohexa-1,4-dien-1-yl)-trimethylsilane?
(2,4-dimethylcyclohexa-1,4-dien-1-yl)-trimethylsilane has a molecular weight of 180.37 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylcyclohexa-1,4-dien-1-yl)-trimethylsilane is sourced from PubChem (CID 134857856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).