2-[5-bromo-2-(1-methylcyclopropyl)phenyl]ethynyl-trimethylsilane

C15H19BrSi — CID 171633801

IUPAC2-[5-bromo-2-(1-methylcyclopropyl)phenyl]ethynyl-trimethylsilane
SMILESCC1(c2ccc(Br)cc2C#C[Si](C)(C)C)CC1
InChIInChI=1S/C15H19BrSi/c1-15(8-9-15)14-6-5-13(16)11-12(14)7-10-17(2,3)4/h5-6,11H,8-9H2,1-4H3
InChIKeyYEIPNLNDIHTOMQ-UHFFFAOYSA-N
MW307.31 g/mol
LogP4.73
Rot. Bonds1

About 2-[5-bromo-2-(1-methylcyclopropyl)phenyl]ethynyl-trimethylsilane

2-[5-bromo-2-(1-methylcyclopropyl)phenyl]ethynyl-trimethylsilane (PubChem CID 171633801) has the molecular formula C15H19BrSi and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-[5-bromo-2-(1-methylcyclopropyl)phenyl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[5-bromo-2-(1-methylcyclopropyl)phenyl]ethynyl-trimethylsilane
PubChem CID171633801
Molecular FormulaC15H19BrSi
Molecular Weight307.31 g/mol
Exact Mass306.04
IUPAC Name2-[5-bromo-2-(1-methylcyclopropyl)phenyl]ethynyl-trimethylsilane
SMILESCC1(c2ccc(Br)cc2C#C[Si](C)(C)C)CC1
InChIInChI=1S/C15H19BrSi/c1-15(8-9-15)14-6-5-13(16)11-12(14)7-10-17(2,3)4/h5-6,11H,8-9H2,1-4H3
InChIKeyYEIPNLNDIHTOMQ-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 54.73
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-Bromophenyl)ethynyl)trimethylsilane
CID 3683324
(4-Bromophenylethynyl)trimethylsilane
CID 4226980
1-Bromo-4-(1-ethynylcyclopropyl)benzene
CID 129952602
1-Bromo-3-(1-ethynylcyclopropyl)benzene
CID 129952603
[(3R)-3-(4-bromophenyl)-5,5,5-trifluoropent-1-ynyl]-trimethylsilane
CID 138984965
[(3S)-3-(4-bromophenyl)-5,5,5-trifluoropent-1-ynyl]-trimethylsilane
CID 166443435
[(3S)-3-(3-bromophenyl)-5,5,5-trifluoropent-1-ynyl]-trimethylsilane
CID 166443560
((4-Bromophenyl)ethynyl)triethylsilane
CID 10803804
2-(3-Bromophenyl)ethynyl-triethylsilane
CID 10851378
4-(4-Bromophenyl)buta-1,3-diynyl-trimethylsilane
CID 135042328
4-Bromo-1-(1-ethylcyclopropyl)-2-(trifluoromethyl)benzene
CID 162089622
4-Bromo-2-(difluoromethyl)-1-(1-methylcyclopropyl)benzene
CID 171633746

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-(1-methylcyclopropyl)phenyl]ethynyl-trimethylsilane?
The IUPAC name of 2-[5-bromo-2-(1-methylcyclopropyl)phenyl]ethynyl-trimethylsilane (CID 171633801) is 2-[5-bromo-2-(1-methylcyclopropyl)phenyl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[5-bromo-2-(1-methylcyclopropyl)phenyl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[5-bromo-2-(1-methylcyclopropyl)phenyl]ethynyl-trimethylsilane is CC1(c2ccc(Br)cc2C#C[Si](C)(C)C)CC1.
What is the InChIKey of 2-[5-bromo-2-(1-methylcyclopropyl)phenyl]ethynyl-trimethylsilane?
The InChIKey is YEIPNLNDIHTOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrSi/c1-15(8-9-15)14-6-5-13(16)11-12(14)7-10-17(2,3)4/h5-6,11H,8-9H2,1-4H3.
What are the key properties of 2-[5-bromo-2-(1-methylcyclopropyl)phenyl]ethynyl-trimethylsilane?
2-[5-bromo-2-(1-methylcyclopropyl)phenyl]ethynyl-trimethylsilane has a molecular weight of 307.31 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-(1-methylcyclopropyl)phenyl]ethynyl-trimethylsilane is sourced from PubChem (CID 171633801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).