2-(3-tert-butylcyclopenta-1,3-dien-1-yl)ethynyl-trimethylsilane

C14H22Si — CID 102272464

IUPAC2-(3-tert-butylcyclopenta-1,3-dien-1-yl)ethynyl-trimethylsilane
SMILESCC(C)(C)C1=CCC(C#C[Si](C)(C)C)=C1
InChIInChI=1S/C14H22Si/c1-14(2,3)13-8-7-12(11-13)9-10-15(4,5)6/h8,11H,7H2,1-6H3
InChIKeyUTDYXIBPGHRVDC-UHFFFAOYSA-N
MW218.42 g/mol
LogP4.17
Rot. Bonds

About 2-(3-tert-butylcyclopenta-1,3-dien-1-yl)ethynyl-trimethylsilane

2-(3-tert-butylcyclopenta-1,3-dien-1-yl)ethynyl-trimethylsilane (PubChem CID 102272464) has the molecular formula C14H22Si and a molecular weight of 218.42 g/mol. Its IUPAC name is 2-(3-tert-butylcyclopenta-1,3-dien-1-yl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(3-tert-butylcyclopenta-1,3-dien-1-yl)ethynyl-trimethylsilane
PubChem CID102272464
Molecular FormulaC14H22Si
Molecular Weight218.42 g/mol
Exact Mass218.15
IUPAC Name2-(3-tert-butylcyclopenta-1,3-dien-1-yl)ethynyl-trimethylsilane
SMILESCC(C)(C)C1=CCC(C#C[Si](C)(C)C)=C1
InChIInChI=1S/C14H22Si/c1-14(2,3)13-8-7-12(11-13)9-10-15(4,5)6/h8,11H,7H2,1-6H3
InChIKeyUTDYXIBPGHRVDC-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.42
LogP ≤ 54.17
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

(3-tert-Butylcyclopenta-2,4-dien-1-yl)(chloro)dimethylsilane
CID 71353501
1,3-Di-tert-butyl-6-(trimethylsilylethynyl)fulvene
CID 139067482
1,3-Cyclopentadiene, 1,5,5-trimethyl-2-(trimethylsilyl)-
CID 552276
1,3-Cyclopentadiene, 5,5-dimethyl-1-(trimethylsilylmethyl)-
CID 552783
(3-Ethenyl-3,7-dimethyloct-6-en-1-ynyl)-trimethylsilane
CID 9991646
Dimethylbis(2-methyl-4-tert-butylcyclopentadienyl)silane
CID 12156407
2-Cyclopenta-1,3-dien-1-ylethynyl(trimethyl)silane
CID 15300222
(2-Tert-butylcyclopenta-2,4-dien-1-yl)-trimethylsilane
CID 15394697
Bis(3-tert-butylcyclopenta-1,3-dien-1-yl)-dimethylsilane
CID 15820796
(3-Tert-butylcyclopenta-2,4-dien-1-yl)-trimethylsilane
CID 15912517
6-Tert-butyl-5,5-dimethyl-5-silabicyclo[2.1.1]hexa-1,4(6)-diene
CID 17896378
(4-Tert-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane
CID 17912811

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylcyclopenta-1,3-dien-1-yl)ethynyl-trimethylsilane?
The IUPAC name of 2-(3-tert-butylcyclopenta-1,3-dien-1-yl)ethynyl-trimethylsilane (CID 102272464) is 2-(3-tert-butylcyclopenta-1,3-dien-1-yl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(3-tert-butylcyclopenta-1,3-dien-1-yl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(3-tert-butylcyclopenta-1,3-dien-1-yl)ethynyl-trimethylsilane is CC(C)(C)C1=CCC(C#C[Si](C)(C)C)=C1.
What is the InChIKey of 2-(3-tert-butylcyclopenta-1,3-dien-1-yl)ethynyl-trimethylsilane?
The InChIKey is UTDYXIBPGHRVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Si/c1-14(2,3)13-8-7-12(11-13)9-10-15(4,5)6/h8,11H,7H2,1-6H3.
What are the key properties of 2-(3-tert-butylcyclopenta-1,3-dien-1-yl)ethynyl-trimethylsilane?
2-(3-tert-butylcyclopenta-1,3-dien-1-yl)ethynyl-trimethylsilane has a molecular weight of 218.42 g/mol, XLogP of 4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylcyclopenta-1,3-dien-1-yl)ethynyl-trimethylsilane is sourced from PubChem (CID 102272464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).