2-[2-(methoxymethoxy)phenyl]ethynyl-trimethylsilane

C13H18O2Si — CID 53486603

IUPAC2-[2-(methoxymethoxy)phenyl]ethynyl-trimethylsilane
SMILESCOCOc1ccccc1C#C[Si](C)(C)C
InChIInChI=1S/C13H18O2Si/c1-14-11-15-13-8-6-5-7-12(13)9-10-16(2,3)4/h5-8H,11H2,1-4H3
InChIKeyZVRHQBSTRVZCGG-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.90
Rot. Bonds3

About 2-[2-(methoxymethoxy)phenyl]ethynyl-trimethylsilane

2-[2-(methoxymethoxy)phenyl]ethynyl-trimethylsilane (PubChem CID 53486603) has the molecular formula C13H18O2Si and a molecular weight of 234.37 g/mol. Its IUPAC name is 2-[2-(methoxymethoxy)phenyl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[2-(methoxymethoxy)phenyl]ethynyl-trimethylsilane
PubChem CID53486603
Molecular FormulaC13H18O2Si
Molecular Weight234.37 g/mol
Exact Mass234.11
IUPAC Name2-[2-(methoxymethoxy)phenyl]ethynyl-trimethylsilane
SMILESCOCOc1ccccc1C#C[Si](C)(C)C
InChIInChI=1S/C13H18O2Si/c1-14-11-15-13-8-6-5-7-12(13)9-10-16(2,3)4/h5-8H,11H2,1-4H3
InChIKeyZVRHQBSTRVZCGG-UHFFFAOYSA-N
XLogP2.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyphenyl)ethynyl-trimethylsilane
CID 5140915
2-(methoxymethoxy)benzonitrile
CID 10352018
4-(2-methoxyphenyl)buta-1,3-diynyl-trimethylsilane
CID 15531435
ethyl 2-[2-(2-trimethylsilylethynyl)phenoxy]acetate
CID 57415176
2-[2-(3-azidopropoxy)phenyl]ethynyl-trimethylsilane
CID 102501795
2-[2-(2-bromophenoxy)phenyl]ethynyl-trimethylsilane
CID 164681631
1-(methoxymethoxy)-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzene
CID 162539487
tert-butyl 3-[2-(methoxymethoxy)phenyl]prop-2-ynoate
CID 102577827
2-[2-(dimethoxymethyl)phenyl]ethynyl-trimethylsilane
CID 15478527
2-ethyl-1,3-bis(methoxymethoxy)benzene
CID 141101427
1-ethynyl-2,3-bis(methoxymethoxy)benzene
CID 24745561
2-fluoro-3-(methoxymethoxy)benzonitrile
CID 142496816

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethoxy)phenyl]ethynyl-trimethylsilane?
The IUPAC name of 2-[2-(methoxymethoxy)phenyl]ethynyl-trimethylsilane (CID 53486603) is 2-[2-(methoxymethoxy)phenyl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[2-(methoxymethoxy)phenyl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[2-(methoxymethoxy)phenyl]ethynyl-trimethylsilane is COCOc1ccccc1C#C[Si](C)(C)C.
What is the InChIKey of 2-[2-(methoxymethoxy)phenyl]ethynyl-trimethylsilane?
The InChIKey is ZVRHQBSTRVZCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2Si/c1-14-11-15-13-8-6-5-7-12(13)9-10-16(2,3)4/h5-8H,11H2,1-4H3.
What are the key properties of 2-[2-(methoxymethoxy)phenyl]ethynyl-trimethylsilane?
2-[2-(methoxymethoxy)phenyl]ethynyl-trimethylsilane has a molecular weight of 234.37 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethoxy)phenyl]ethynyl-trimethylsilane is sourced from PubChem (CID 53486603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).