trimethyl-[(1E,3Z)-4-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)buta-1,3-dienyl]silane

C17H28Si — CID 122227576

IUPACtrimethyl-[(1E,3Z)-4-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)buta-1,3-dienyl]silane
SMILESCC12CCC(C=C1/C=C\C=C\[Si](C)(C)C)C2(C)C
InChIInChI=1S/C17H28Si/c1-16(2)14-10-11-17(16,3)15(13-14)9-7-8-12-18(4,5)6/h7-9,12-14H,10-11H2,1-6H3/b9-7-,12-8+
InChIKeyWGZAGZDCRGLQHU-ZUQSVMQASA-N
MW260.50 g/mol
LogP5.36
Rot. Bonds3

About trimethyl-[(1E,3Z)-4-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)buta-1,3-dienyl]silane

trimethyl-[(1E,3Z)-4-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)buta-1,3-dienyl]silane (PubChem CID 122227576) has the molecular formula C17H28Si and a molecular weight of 260.50 g/mol. Its IUPAC name is trimethyl-[(1E,3Z)-4-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)buta-1,3-dienyl]silane.

Molecular Properties

Compound Nametrimethyl-[(1E,3Z)-4-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)buta-1,3-dienyl]silane
PubChem CID122227576
Molecular FormulaC17H28Si
Molecular Weight260.50 g/mol
Exact Mass260.20
IUPAC Nametrimethyl-[(1E,3Z)-4-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)buta-1,3-dienyl]silane
SMILESCC12CCC(C=C1/C=C\C=C\[Si](C)(C)C)C2(C)C
InChIInChI=1S/C17H28Si/c1-16(2)14-10-11-17(16,3)15(13-14)9-7-8-12-18(4,5)6/h7-9,12-14H,10-11H2,1-6H3/b9-7-,12-8+
InChIKeyWGZAGZDCRGLQHU-ZUQSVMQASA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.50
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze trimethyl-[(1E,3Z)-4-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)buta-1,3-dienyl]silane 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

trimethyl-[(E)-4-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)but-1-en-3-ynyl]silane
CID 134887465
(1S,4R)-1,2,7,7-tetramethylbicyclo[2.2.1]hept-2-ene
CID 71442839
(1R,4R)-1,7,7-trimethyl-2-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]ditellanyl]bicyclo[2.2.1]hept-2-ene
CID 122369565
(1R)-1,7,7-trimethyl-2-methylsulfanylbicyclo[2.2.1]hept-2-ene
CID 71443158
trimethyl-[(1E,3E)-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]silane
CID 11470674
triethyl-[(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)oxy]germane
CID 16694026
tert-butyl 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)amino]acetate
CID 91475157
1,7,7-trimethyl-N-prop-2-ynoxybicyclo[2.2.1]hept-2-en-2-amine
CID 56628659
2-bromo-6-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)pyridine
CID 91113610
2-(cyclohexen-1-yl)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene
CID 156785118
4-[[2-[(1R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]phenyl]methylidene]piperidine
CID 141314333
(1R,5S)-1,8,8-trimethylbicyclo[3.2.1]oct-3-en-2-one
CID 23310174

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(1E,3Z)-4-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)buta-1,3-dienyl]silane?
The IUPAC name of trimethyl-[(1E,3Z)-4-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)buta-1,3-dienyl]silane (CID 122227576) is trimethyl-[(1E,3Z)-4-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)buta-1,3-dienyl]silane.
What is the SMILES notation for trimethyl-[(1E,3Z)-4-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)buta-1,3-dienyl]silane?
The canonical SMILES for trimethyl-[(1E,3Z)-4-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)buta-1,3-dienyl]silane is CC12CCC(C=C1/C=C\C=C\[Si](C)(C)C)C2(C)C.
What is the InChIKey of trimethyl-[(1E,3Z)-4-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)buta-1,3-dienyl]silane?
The InChIKey is WGZAGZDCRGLQHU-ZUQSVMQASA-N. The full InChI is InChI=1S/C17H28Si/c1-16(2)14-10-11-17(16,3)15(13-14)9-7-8-12-18(4,5)6/h7-9,12-14H,10-11H2,1-6H3/b9-7-,12-8+.
What are the key properties of trimethyl-[(1E,3Z)-4-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)buta-1,3-dienyl]silane?
trimethyl-[(1E,3Z)-4-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)buta-1,3-dienyl]silane has a molecular weight of 260.50 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1E,3Z)-4-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)buta-1,3-dienyl]silane is sourced from PubChem (CID 122227576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).