2-[7-(3,3-dimethylbut-1-ynyl)-1-tricyclo[4.1.0.02,7]heptanyl]ethynyl-trimethylsilane

C18H26Si — CID 15758537

IUPAC2-[7-(3,3-dimethylbut-1-ynyl)-1-tricyclo[4.1.0.02,7]heptanyl]ethynyl-trimethylsilane
SMILESCC(C)(C)C#CC12C3CCCC1C32C#C[Si](C)(C)C
InChIInChI=1S/C18H26Si/c1-16(2,3)10-11-17-14-8-7-9-15(17)18(14,17)12-13-19(4,5)6/h14-15H,7-9H2,1-6H3
InChIKeyYPIHFEPBZFILRH-UHFFFAOYSA-N
MW270.49 g/mol
LogP4.33
Rot. Bonds

About 2-[7-(3,3-dimethylbut-1-ynyl)-1-tricyclo[4.1.0.02,7]heptanyl]ethynyl-trimethylsilane

2-[7-(3,3-dimethylbut-1-ynyl)-1-tricyclo[4.1.0.02,7]heptanyl]ethynyl-trimethylsilane (PubChem CID 15758537) has the molecular formula C18H26Si and a molecular weight of 270.49 g/mol. Its IUPAC name is 2-[7-(3,3-dimethylbut-1-ynyl)-1-tricyclo[4.1.0.02,7]heptanyl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[7-(3,3-dimethylbut-1-ynyl)-1-tricyclo[4.1.0.02,7]heptanyl]ethynyl-trimethylsilane
PubChem CID15758537
Molecular FormulaC18H26Si
Molecular Weight270.49 g/mol
Exact Mass270.18
IUPAC Name2-[7-(3,3-dimethylbut-1-ynyl)-1-tricyclo[4.1.0.02,7]heptanyl]ethynyl-trimethylsilane
SMILESCC(C)(C)C#CC12C3CCCC1C32C#C[Si](C)(C)C
InChIInChI=1S/C18H26Si/c1-16(2,3)10-11-17-14-8-7-9-15(17)18(14,17)12-13-19(4,5)6/h14-15H,7-9H2,1-6H3
InChIKeyYPIHFEPBZFILRH-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.33
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'}

Analyze 2-[7-(3,3-dimethylbut-1-ynyl)-1-tricyclo[4.1.0.02,7]heptanyl]ethynyl-trimethylsilane with MolForge

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Related Compounds

Trimethyl-[2-(1-tricyclo[4.1.0.02,7]heptanyl)ethynyl]silane
CID 14662037
Trimethyl-[2-[7-(2-trimethylsilylethynyl)-1-tricyclo[4.1.0.02,7]heptanyl]ethynyl]silane
CID 14662043
1-Hex-1-ynyltricyclo[4.1.0.02,7]heptane
CID 15758535
1-(3,3-Dimethylbut-1-ynyl)tricyclo[4.1.0.02,7]heptane
CID 15758536
3-[7-(3-Chloropropyl)-1-tricyclo[4.1.0.02,7]heptanyl]prop-1-ynyl-trimethylsilane
CID 15807318
2-(7-Bromo-1-tricyclo[4.1.0.02,7]heptanyl)ethynyl-trimethylsilane
CID 101915081
2-(7-Chloro-1-tricyclo[4.1.0.02,7]heptanyl)ethynyl-trimethylsilane
CID 101915086
2-(7-Ethynyl-1-tricyclo[4.1.0.02,7]heptanyl)ethynyl-trimethylsilane
CID 101915091
1,7-Bis(hex-1-ynyl)tricyclo[4.1.0.02,7]heptane
CID 101915093
1,7-Bis(3,3-dimethylbut-1-ynyl)tricyclo[4.1.0.02,7]heptane
CID 101915094
2-(7-Hex-1-ynyl-1-tricyclo[4.1.0.02,7]heptanyl)ethynyl-trimethylsilane
CID 101915096
1-(3,3-Dimethylbut-1-ynyl)-7-hex-1-ynyltricyclo[4.1.0.02,7]heptane
CID 101915097

Frequently Asked Questions

What is the IUPAC name of 2-[7-(3,3-dimethylbut-1-ynyl)-1-tricyclo[4.1.0.02,7]heptanyl]ethynyl-trimethylsilane?
The IUPAC name of 2-[7-(3,3-dimethylbut-1-ynyl)-1-tricyclo[4.1.0.02,7]heptanyl]ethynyl-trimethylsilane (CID 15758537) is 2-[7-(3,3-dimethylbut-1-ynyl)-1-tricyclo[4.1.0.02,7]heptanyl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[7-(3,3-dimethylbut-1-ynyl)-1-tricyclo[4.1.0.02,7]heptanyl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[7-(3,3-dimethylbut-1-ynyl)-1-tricyclo[4.1.0.02,7]heptanyl]ethynyl-trimethylsilane is CC(C)(C)C#CC12C3CCCC1C32C#C[Si](C)(C)C.
What is the InChIKey of 2-[7-(3,3-dimethylbut-1-ynyl)-1-tricyclo[4.1.0.02,7]heptanyl]ethynyl-trimethylsilane?
The InChIKey is YPIHFEPBZFILRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Si/c1-16(2,3)10-11-17-14-8-7-9-15(17)18(14,17)12-13-19(4,5)6/h14-15H,7-9H2,1-6H3.
What are the key properties of 2-[7-(3,3-dimethylbut-1-ynyl)-1-tricyclo[4.1.0.02,7]heptanyl]ethynyl-trimethylsilane?
2-[7-(3,3-dimethylbut-1-ynyl)-1-tricyclo[4.1.0.02,7]heptanyl]ethynyl-trimethylsilane has a molecular weight of 270.49 g/mol, XLogP of 4.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(3,3-dimethylbut-1-ynyl)-1-tricyclo[4.1.0.02,7]heptanyl]ethynyl-trimethylsilane is sourced from PubChem (CID 15758537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).