trimethyl-[(E)-4-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)but-1-en-3-ynyl]silane

C17H26Si — CID 134887465

IUPACtrimethyl-[(E)-4-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)but-1-en-3-ynyl]silane
SMILESCC12CCC(C=C1C#C/C=C/[Si](C)(C)C)C2(C)C
InChIInChI=1S/C17H26Si/c1-16(2)14-10-11-17(16,3)15(13-14)9-7-8-12-18(4,5)6/h8,12-14H,10-11H2,1-6H3/b12-8+
InChIKeyKELWKCQSGPQNHG-XYOKQWHBSA-N
MW258.48 g/mol
LogP4.81
Rot. Bonds1

About trimethyl-[(E)-4-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)but-1-en-3-ynyl]silane

trimethyl-[(E)-4-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)but-1-en-3-ynyl]silane (PubChem CID 134887465) has the molecular formula C17H26Si and a molecular weight of 258.48 g/mol. Its IUPAC name is trimethyl-[(E)-4-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)but-1-en-3-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[(E)-4-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)but-1-en-3-ynyl]silane
PubChem CID134887465
Molecular FormulaC17H26Si
Molecular Weight258.48 g/mol
Exact Mass258.18
IUPAC Nametrimethyl-[(E)-4-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)but-1-en-3-ynyl]silane
SMILESCC12CCC(C=C1C#C/C=C/[Si](C)(C)C)C2(C)C
InChIInChI=1S/C17H26Si/c1-16(2)14-10-11-17(16,3)15(13-14)9-7-8-12-18(4,5)6/h8,12-14H,10-11H2,1-6H3/b12-8+
InChIKeyKELWKCQSGPQNHG-XYOKQWHBSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[(1E,3Z)-4-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)buta-1,3-dienyl]silane
CID 122227576
(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
triethyl-[(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)oxy]germane
CID 16694026
1,7,7-trimethyl-N-prop-2-ynoxybicyclo[2.2.1]hept-2-en-2-amine
CID 56628659
(1R,5S)-1,8,8-trimethylbicyclo[3.2.1]oct-3-en-2-one
CID 23310174
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
butyl 1,7,7-trimethylbicyclo[2.2.1]hept-2-ene-2-carboxylate
CID 141094411
tert-butyl 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)amino]acetate
CID 91475157
4-[[2-[(1R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]phenyl]methylidene]piperidine
CID 141314333

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E)-4-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)but-1-en-3-ynyl]silane?
The IUPAC name of trimethyl-[(E)-4-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)but-1-en-3-ynyl]silane (CID 134887465) is trimethyl-[(E)-4-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)but-1-en-3-ynyl]silane.
What is the SMILES notation for trimethyl-[(E)-4-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)but-1-en-3-ynyl]silane?
The canonical SMILES for trimethyl-[(E)-4-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)but-1-en-3-ynyl]silane is CC12CCC(C=C1C#C/C=C/[Si](C)(C)C)C2(C)C.
What is the InChIKey of trimethyl-[(E)-4-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)but-1-en-3-ynyl]silane?
The InChIKey is KELWKCQSGPQNHG-XYOKQWHBSA-N. The full InChI is InChI=1S/C17H26Si/c1-16(2)14-10-11-17(16,3)15(13-14)9-7-8-12-18(4,5)6/h8,12-14H,10-11H2,1-6H3/b12-8+.
What are the key properties of trimethyl-[(E)-4-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)but-1-en-3-ynyl]silane?
trimethyl-[(E)-4-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)but-1-en-3-ynyl]silane has a molecular weight of 258.48 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-4-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)but-1-en-3-ynyl]silane is sourced from PubChem (CID 134887465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).