triethynoxy-[2-(3-methylphenyl)ethyl]silane

C15H14O3Si — CID 59566847

IUPACtriethynoxy-[2-(3-methylphenyl)ethyl]silane
SMILESC#CO[Si](CCc1cccc(C)c1)(OC#C)OC#C
InChIInChI=1S/C15H14O3Si/c1-5-16-19(17-6-2,18-7-3)12-11-15-10-8-9-14(4)13-15/h1-3,8-10,13H,11-12H2,4H3
InChIKeyVMQAWONWUFENCY-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.30
Rot. Bonds6

About triethynoxy-[2-(3-methylphenyl)ethyl]silane

triethynoxy-[2-(3-methylphenyl)ethyl]silane (PubChem CID 59566847) has the molecular formula C15H14O3Si and a molecular weight of 270.36 g/mol. Its IUPAC name is triethynoxy-[2-(3-methylphenyl)ethyl]silane.

Molecular Properties

Compound Nametriethynoxy-[2-(3-methylphenyl)ethyl]silane
PubChem CID59566847
Molecular FormulaC15H14O3Si
Molecular Weight270.36 g/mol
Exact Mass270.07
IUPAC Nametriethynoxy-[2-(3-methylphenyl)ethyl]silane
SMILESC#CO[Si](CCc1cccc(C)c1)(OC#C)OC#C
InChIInChI=1S/C15H14O3Si/c1-5-16-19(17-6-2,18-7-3)12-11-15-10-8-9-14(4)13-15/h1-3,8-10,13H,11-12H2,4H3
InChIKeyVMQAWONWUFENCY-UHFFFAOYSA-N
XLogP2.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

trimethoxy-[2-[3-(2-trimethoxysilylethyl)phenyl]ethyl]silane
CID 56847492
1-methyl-3-[8-(3-methylphenyl)octyl]benzene
CID 22920080
2-(3-methylphenyl)ethanolate
CID 142208639
CID 59201849
CID 59201849
2-(3-methylphenyl)ethanamine;hydrochloride
CID 47003273
1-(2,2-dimethylbut-3-ynyl)-3-methylbenzene
CID 122240116
1-methyl-3-[(3-methylphenyl)methoxymethyl]benzene
CID 15640186
tris[(3-methylphenyl)methyl]phosphane
CID 19845609
5-(3-methylphenyl)pent-1-yn-3-ylhydrazine
CID 105315673
3-(3-methylphenyl)propan-1-amine
CID 12666388
1,2-dimethoxy-4-[3-(3-methylphenyl)propyl]benzene
CID 90949774
3-(2-hydroxyethyl)phenol;2-(3-methylphenyl)ethanol
CID 161002126

Frequently Asked Questions

What is the IUPAC name of triethynoxy-[2-(3-methylphenyl)ethyl]silane?
The IUPAC name of triethynoxy-[2-(3-methylphenyl)ethyl]silane (CID 59566847) is triethynoxy-[2-(3-methylphenyl)ethyl]silane.
What is the SMILES notation for triethynoxy-[2-(3-methylphenyl)ethyl]silane?
The canonical SMILES for triethynoxy-[2-(3-methylphenyl)ethyl]silane is C#CO[Si](CCc1cccc(C)c1)(OC#C)OC#C.
What is the InChIKey of triethynoxy-[2-(3-methylphenyl)ethyl]silane?
The InChIKey is VMQAWONWUFENCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3Si/c1-5-16-19(17-6-2,18-7-3)12-11-15-10-8-9-14(4)13-15/h1-3,8-10,13H,11-12H2,4H3.
What are the key properties of triethynoxy-[2-(3-methylphenyl)ethyl]silane?
triethynoxy-[2-(3-methylphenyl)ethyl]silane has a molecular weight of 270.36 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethynoxy-[2-(3-methylphenyl)ethyl]silane is sourced from PubChem (CID 59566847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).