(5-tert-butylcyclohexa-2,4-dien-1-yl)-trimethylsilane

C13H24Si — CID 14984258

IUPAC(5-tert-butylcyclohexa-2,4-dien-1-yl)-trimethylsilane
SMILESCC(C)(C)C1=CC=CC([Si](C)(C)C)C1
InChIInChI=1S/C13H24Si/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6/h7-9,12H,10H2,1-6H3
InChIKeyZVUKCQPYHLFRLL-UHFFFAOYSA-N
MW208.42 g/mol
LogP4.63
Rot. Bonds1

About (5-tert-butylcyclohexa-2,4-dien-1-yl)-trimethylsilane

(5-tert-butylcyclohexa-2,4-dien-1-yl)-trimethylsilane (PubChem CID 14984258) has the molecular formula C13H24Si and a molecular weight of 208.42 g/mol. Its IUPAC name is (5-tert-butylcyclohexa-2,4-dien-1-yl)-trimethylsilane.

Molecular Properties

Compound Name(5-tert-butylcyclohexa-2,4-dien-1-yl)-trimethylsilane
PubChem CID14984258
Molecular FormulaC13H24Si
Molecular Weight208.42 g/mol
Exact Mass208.16
IUPAC Name(5-tert-butylcyclohexa-2,4-dien-1-yl)-trimethylsilane
SMILESCC(C)(C)C1=CC=CC([Si](C)(C)C)C1
InChIInChI=1S/C13H24Si/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6/h7-9,12H,10H2,1-6H3
InChIKeyZVUKCQPYHLFRLL-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (5-tert-butylcyclohexa-2,4-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

(4R)-4-ethenyl-4-methyl-3-propan-2-ylidenecyclohexene
CID 162918166
[(E)-3-cyclohexylideneprop-1-enyl]-trimethylsilane
CID 10081354
[(E)-2-(cyclohexen-1-yl)ethenyl]-trimethylsilane
CID 14175461
[(E)-2-(cyclopenten-1-yl)ethenyl]-trimethylsilane
CID 14175462
1-Tert-butylcyclohexa-1,3-diene
CID 2755578
5-Ethyl-1,5-dimethyl-1,3-cyclohexadiene
CID 19013748
2-Cyclohexene, 5,5-dimethyl-1-dimethylfluorosilyl-1-trimethylsilyl-
CID 597120
Isogeijerene C
CID 85863764
[(E)-cyclohex-2-en-1-ylidenemethyl]-trimethylsilane
CID 11030206
trimethyl-[(1E,3E)-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]silane
CID 11470674
(4,4-Dimethylcyclohexen-1-yl)-trimethylsilane
CID 12668514
[(Z)-(3,5-dimethylcyclohex-2-en-1-ylidene)methyl]-trimethylsilane
CID 15040722

Frequently Asked Questions

What is the IUPAC name of (5-tert-butylcyclohexa-2,4-dien-1-yl)-trimethylsilane?
The IUPAC name of (5-tert-butylcyclohexa-2,4-dien-1-yl)-trimethylsilane (CID 14984258) is (5-tert-butylcyclohexa-2,4-dien-1-yl)-trimethylsilane.
What is the SMILES notation for (5-tert-butylcyclohexa-2,4-dien-1-yl)-trimethylsilane?
The canonical SMILES for (5-tert-butylcyclohexa-2,4-dien-1-yl)-trimethylsilane is CC(C)(C)C1=CC=CC([Si](C)(C)C)C1.
What is the InChIKey of (5-tert-butylcyclohexa-2,4-dien-1-yl)-trimethylsilane?
The InChIKey is ZVUKCQPYHLFRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24Si/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6/h7-9,12H,10H2,1-6H3.
What are the key properties of (5-tert-butylcyclohexa-2,4-dien-1-yl)-trimethylsilane?
(5-tert-butylcyclohexa-2,4-dien-1-yl)-trimethylsilane has a molecular weight of 208.42 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butylcyclohexa-2,4-dien-1-yl)-trimethylsilane is sourced from PubChem (CID 14984258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).