2-(2,4-diethoxyphenyl)ethynyl-trimethylsilane

C15H22O2Si — CID 169083470

IUPAC2-(2,4-diethoxyphenyl)ethynyl-trimethylsilane
SMILESCCOc1ccc(C#C[Si](C)(C)C)c(OCC)c1
InChIInChI=1S/C15H22O2Si/c1-6-16-14-9-8-13(10-11-18(3,4)5)15(12-14)17-7-2/h8-9,12H,6-7H2,1-5H3
InChIKeySEQKPDZLQNZTJH-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.71
Rot. Bonds4

About 2-(2,4-diethoxyphenyl)ethynyl-trimethylsilane

2-(2,4-diethoxyphenyl)ethynyl-trimethylsilane (PubChem CID 169083470) has the molecular formula C15H22O2Si and a molecular weight of 262.42 g/mol. Its IUPAC name is 2-(2,4-diethoxyphenyl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(2,4-diethoxyphenyl)ethynyl-trimethylsilane
PubChem CID169083470
Molecular FormulaC15H22O2Si
Molecular Weight262.42 g/mol
Exact Mass262.14
IUPAC Name2-(2,4-diethoxyphenyl)ethynyl-trimethylsilane
SMILESCCOc1ccc(C#C[Si](C)(C)C)c(OCC)c1
InChIInChI=1S/C15H22O2Si/c1-6-16-14-9-8-13(10-11-18(3,4)5)15(12-14)17-7-2/h8-9,12H,6-7H2,1-5H3
InChIKeySEQKPDZLQNZTJH-UHFFFAOYSA-N
XLogP3.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-[4-[chloro-bis(4-ethoxyphenyl)methyl]phenyl]ethynyl-trimethylsilane
CID 177267294
2-(2,2-dimethylbutoxy)-4-ethoxybenzonitrile
CID 170603623
5-(2,4-diethoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 15129059
4-ethoxy-2-propan-2-yloxybenzonitrile
CID 22721205
4-[(5-amino-2-pyridinyl)oxy]-2-ethoxybenzonitrile
CID 70975984
5-(2,4-diethoxyphenyl)-3-methyl-1,2-oxazole
CID 169499042
2,2-dibromo-1-(2,4-diethoxyphenyl)ethanone
CID 166607863
2,4-diethoxybenzoate
CID 6951194
2,4-diethoxybenzamide
CID 17145726
2,4-diethoxy-1-phenylbenzene
CID 132889855
2-ethoxy-4-propoxyaniline
CID 63677806
2-chloro-4-ethoxy-1-ethylbenzene
CID 21064451

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diethoxyphenyl)ethynyl-trimethylsilane?
The IUPAC name of 2-(2,4-diethoxyphenyl)ethynyl-trimethylsilane (CID 169083470) is 2-(2,4-diethoxyphenyl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(2,4-diethoxyphenyl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(2,4-diethoxyphenyl)ethynyl-trimethylsilane is CCOc1ccc(C#C[Si](C)(C)C)c(OCC)c1.
What is the InChIKey of 2-(2,4-diethoxyphenyl)ethynyl-trimethylsilane?
The InChIKey is SEQKPDZLQNZTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2Si/c1-6-16-14-9-8-13(10-11-18(3,4)5)15(12-14)17-7-2/h8-9,12H,6-7H2,1-5H3.
What are the key properties of 2-(2,4-diethoxyphenyl)ethynyl-trimethylsilane?
2-(2,4-diethoxyphenyl)ethynyl-trimethylsilane has a molecular weight of 262.42 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-diethoxyphenyl)ethynyl-trimethylsilane is sourced from PubChem (CID 169083470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).