[2-[2-[dimethyl(trimethylsilyl)silyl]ethynyl]phenyl] acetate

C15H22O2Si2 — CID 100978052

IUPAC[2-[2-[dimethyl(trimethylsilyl)silyl]ethynyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C#C[Si](C)(C)[Si](C)(C)C
InChIInChI=1S/C15H22O2Si2/c1-13(16)17-15-10-8-7-9-14(15)11-12-19(5,6)18(2,3)4/h7-10H,1-6H3
InChIKeySJRXYXNDYGSICE-UHFFFAOYSA-N
MW290.51 g/mol
LogP3.63
Rot. Bonds2

About [2-[2-[dimethyl(trimethylsilyl)silyl]ethynyl]phenyl] acetate

[2-[2-[dimethyl(trimethylsilyl)silyl]ethynyl]phenyl] acetate (PubChem CID 100978052) has the molecular formula C15H22O2Si2 and a molecular weight of 290.51 g/mol. Its IUPAC name is [2-[2-[dimethyl(trimethylsilyl)silyl]ethynyl]phenyl] acetate.

Molecular Properties

Compound Name[2-[2-[dimethyl(trimethylsilyl)silyl]ethynyl]phenyl] acetate
PubChem CID100978052
Molecular FormulaC15H22O2Si2
Molecular Weight290.51 g/mol
Exact Mass290.12
IUPAC Name[2-[2-[dimethyl(trimethylsilyl)silyl]ethynyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C#C[Si](C)(C)[Si](C)(C)C
InChIInChI=1S/C15H22O2Si2/c1-13(16)17-15-10-8-7-9-14(15)11-12-19(5,6)18(2,3)4/h7-10H,1-6H3
InChIKeySJRXYXNDYGSICE-UHFFFAOYSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.51
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-cyclohexylethynyl)phenyl] acetate
CID 57017537
[4-(2-trimethylsilylethynyl)-3-pyridinyl] acetate
CID 175899348
(2-trimethylsilylphenyl) acetate
CID 13101762
(2-acetyloxybenzoyl)-sulfanylazanium
CID 173416352
[4-methyl-2-(2-phenylethynyl)phenyl] acetate
CID 10610675
ethyl 2-[2-(2-trimethylsilylethynyl)phenoxy]acetate
CID 57415176
[1-[2-acetyloxy-3-(2-trimethylsilylethynyl)naphthalen-1-yl]-3-(2-trimethylsilylethynyl)naphthalen-2-yl] acetate
CID 132522627
[2-(2-phenylethynyl)phenyl] N-propan-2-ylcarbamate
CID 11507410
triphenylen-1-yl acetate
CID 87276472
[4-cyano-2-(2-phenylethynyl)phenyl] acetate
CID 68680936
[2-(4-aminophenyl)phenyl] acetate
CID 68788383
(3-acetyloxy-2-phenyldiazenylphenyl) acetate
CID 134935103

Frequently Asked Questions

What is the IUPAC name of [2-[2-[dimethyl(trimethylsilyl)silyl]ethynyl]phenyl] acetate?
The IUPAC name of [2-[2-[dimethyl(trimethylsilyl)silyl]ethynyl]phenyl] acetate (CID 100978052) is [2-[2-[dimethyl(trimethylsilyl)silyl]ethynyl]phenyl] acetate.
What is the SMILES notation for [2-[2-[dimethyl(trimethylsilyl)silyl]ethynyl]phenyl] acetate?
The canonical SMILES for [2-[2-[dimethyl(trimethylsilyl)silyl]ethynyl]phenyl] acetate is CC(=O)Oc1ccccc1C#C[Si](C)(C)[Si](C)(C)C.
What is the InChIKey of [2-[2-[dimethyl(trimethylsilyl)silyl]ethynyl]phenyl] acetate?
The InChIKey is SJRXYXNDYGSICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2Si2/c1-13(16)17-15-10-8-7-9-14(15)11-12-19(5,6)18(2,3)4/h7-10H,1-6H3.
What are the key properties of [2-[2-[dimethyl(trimethylsilyl)silyl]ethynyl]phenyl] acetate?
[2-[2-[dimethyl(trimethylsilyl)silyl]ethynyl]phenyl] acetate has a molecular weight of 290.51 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[dimethyl(trimethylsilyl)silyl]ethynyl]phenyl] acetate is sourced from PubChem (CID 100978052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).