2-(2-hept-1-ynylthiophen-3-yl)ethynyl-trimethylsilane

C16H22SSi — CID 66657413

IUPAC2-(2-hept-1-ynylthiophen-3-yl)ethynyl-trimethylsilane
SMILESCCCCCC#Cc1sccc1C#C[Si](C)(C)C
InChIInChI=1S/C16H22SSi/c1-5-6-7-8-9-10-16-15(11-13-17-16)12-14-18(2,3)4/h11,13H,5-8H2,1-4H3
InChIKeyCQQLRPWLYMJTNN-UHFFFAOYSA-N
MW274.50 g/mol
LogP4.91
Rot. Bonds3

About 2-(2-hept-1-ynylthiophen-3-yl)ethynyl-trimethylsilane

2-(2-hept-1-ynylthiophen-3-yl)ethynyl-trimethylsilane (PubChem CID 66657413) has the molecular formula C16H22SSi and a molecular weight of 274.50 g/mol. Its IUPAC name is 2-(2-hept-1-ynylthiophen-3-yl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(2-hept-1-ynylthiophen-3-yl)ethynyl-trimethylsilane
PubChem CID66657413
Molecular FormulaC16H22SSi
Molecular Weight274.50 g/mol
Exact Mass274.12
IUPAC Name2-(2-hept-1-ynylthiophen-3-yl)ethynyl-trimethylsilane
SMILESCCCCCC#Cc1sccc1C#C[Si](C)(C)C
InChIInChI=1S/C16H22SSi/c1-5-6-7-8-9-10-16-15(11-13-17-16)12-14-18(2,3)4/h11,13H,5-8H2,1-4H3
InChIKeyCQQLRPWLYMJTNN-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.50
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-oct-1-ynyl-1-benzothiophene
CID 118530656
1,2-bis(oct-1-ynyl)benzene
CID 11087701
2-oct-1-ynylpyridine
CID 12931148
2-bromo-5-(5-bromothiophen-2-yl)thiophene;2,3-dibromothiophene;2,3-diethynyl-5-[5-[5-(4-ethynyl-5-hept-1-ynylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;2-[2-hept-1-ynyl-5-[5-[5-[5-prop-1-ynyl-4-(2-trimethylsilylethynyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]ethynyl-trimethylsilane;2-[2-hept-1-ynyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-3-yl]ethynyl-trimethylsilane
CID 157228600
2-[2-[2-[2-(2-pent-1-ynylphenyl)ethynyl]thiophen-3-yl]ethynyl]aniline
CID 56650488
2-(3-bromothiophen-2-yl)ethynyl-trimethylsilane
CID 15339452
trimethyl-[2-(6-tetradec-1-en-3-ynyl-3-pyridinyl)ethynyl]silane
CID 71407526
5-decyl-4-dec-1-ynyl-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene
CID 70791686
deca-1,4-diynyl(trimethyl)silane
CID 11031014
2-undeca-1,3-diynylthiophene
CID 71378359
2-dec-1-ynylpyrimidine
CID 71528041
3-dec-1-ynylthiophene
CID 67462067

Frequently Asked Questions

What is the IUPAC name of 2-(2-hept-1-ynylthiophen-3-yl)ethynyl-trimethylsilane?
The IUPAC name of 2-(2-hept-1-ynylthiophen-3-yl)ethynyl-trimethylsilane (CID 66657413) is 2-(2-hept-1-ynylthiophen-3-yl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(2-hept-1-ynylthiophen-3-yl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(2-hept-1-ynylthiophen-3-yl)ethynyl-trimethylsilane is CCCCCC#Cc1sccc1C#C[Si](C)(C)C.
What is the InChIKey of 2-(2-hept-1-ynylthiophen-3-yl)ethynyl-trimethylsilane?
The InChIKey is CQQLRPWLYMJTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22SSi/c1-5-6-7-8-9-10-16-15(11-13-17-16)12-14-18(2,3)4/h11,13H,5-8H2,1-4H3.
What are the key properties of 2-(2-hept-1-ynylthiophen-3-yl)ethynyl-trimethylsilane?
2-(2-hept-1-ynylthiophen-3-yl)ethynyl-trimethylsilane has a molecular weight of 274.50 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hept-1-ynylthiophen-3-yl)ethynyl-trimethylsilane is sourced from PubChem (CID 66657413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).