3-(2-methoxyphenyl)prop-1-ynyl-trimethylsilane

C13H18OSi — CID 101398032

IUPAC3-(2-methoxyphenyl)prop-1-ynyl-trimethylsilane
SMILESCOc1ccccc1CC#C[Si](C)(C)C
InChIInChI=1S/C13H18OSi/c1-14-13-10-6-5-8-12(13)9-7-11-15(2,3)4/h5-6,8,10H,9H2,1-4H3
InChIKeyUHWRKEXPWXNLTL-UHFFFAOYSA-N
MW218.37 g/mol
LogP3.12
Rot. Bonds2

About 3-(2-methoxyphenyl)prop-1-ynyl-trimethylsilane

3-(2-methoxyphenyl)prop-1-ynyl-trimethylsilane (PubChem CID 101398032) has the molecular formula C13H18OSi and a molecular weight of 218.37 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)prop-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name3-(2-methoxyphenyl)prop-1-ynyl-trimethylsilane
PubChem CID101398032
Molecular FormulaC13H18OSi
Molecular Weight218.37 g/mol
Exact Mass218.11
IUPAC Name3-(2-methoxyphenyl)prop-1-ynyl-trimethylsilane
SMILESCOc1ccccc1CC#C[Si](C)(C)C
InChIInChI=1S/C13H18OSi/c1-14-13-10-6-5-8-12(13)9-7-11-15(2,3)4/h5-6,8,10H,9H2,1-4H3
InChIKeyUHWRKEXPWXNLTL-UHFFFAOYSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

4-(2-methoxyphenyl)but-2-ynoic acid
CID 64535193
1-hexa-2,4-diynyl-2-methoxybenzene
CID 5319414
2-[3-(2-methoxyphenyl)prop-1-ynyl]furan
CID 101416013
2-(2-methoxyphenyl)ethynyl-trimethylsilane
CID 5140915
azane;dichloroplatinum;2-(2-methoxyphenyl)acetonitrile
CID 87598174
(2-(111C)methoxyphenyl)methanol
CID 59897789
2-[3-(2-methoxyphenyl)prop-1-ynylamino]acetamide
CID 67925876
lithium (2-methoxyphenyl)methanolate
CID 139799103
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457
4-(2-methoxyphenyl)buta-1,3-diynyl-trimethylsilane
CID 15531435
3-(2-methoxyphenyl)-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol
CID 15466235
3-[(2-methoxyphenyl)methyl]-1,2-oxazole
CID 174471268

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)prop-1-ynyl-trimethylsilane?
The IUPAC name of 3-(2-methoxyphenyl)prop-1-ynyl-trimethylsilane (CID 101398032) is 3-(2-methoxyphenyl)prop-1-ynyl-trimethylsilane.
What is the SMILES notation for 3-(2-methoxyphenyl)prop-1-ynyl-trimethylsilane?
The canonical SMILES for 3-(2-methoxyphenyl)prop-1-ynyl-trimethylsilane is COc1ccccc1CC#C[Si](C)(C)C.
What is the InChIKey of 3-(2-methoxyphenyl)prop-1-ynyl-trimethylsilane?
The InChIKey is UHWRKEXPWXNLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OSi/c1-14-13-10-6-5-8-12(13)9-7-11-15(2,3)4/h5-6,8,10H,9H2,1-4H3.
What are the key properties of 3-(2-methoxyphenyl)prop-1-ynyl-trimethylsilane?
3-(2-methoxyphenyl)prop-1-ynyl-trimethylsilane has a molecular weight of 218.37 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)prop-1-ynyl-trimethylsilane is sourced from PubChem (CID 101398032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).