2-(3,4-dimethylphenyl)ethyl-trimethoxysilane

C13H22O3Si — CID 59566689

IUPAC2-(3,4-dimethylphenyl)ethyl-trimethoxysilane
SMILESCO[Si](CCc1ccc(C)c(C)c1)(OC)OC
InChIInChI=1S/C13H22O3Si/c1-11-6-7-13(10-12(11)2)8-9-17(14-3,15-4)16-5/h6-7,10H,8-9H2,1-5H3
InChIKeyLRPOEQZHXDYSGK-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.72
Rot. Bonds6

About 2-(3,4-dimethylphenyl)ethyl-trimethoxysilane

2-(3,4-dimethylphenyl)ethyl-trimethoxysilane (PubChem CID 59566689) has the molecular formula C13H22O3Si and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)ethyl-trimethoxysilane.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)ethyl-trimethoxysilane
PubChem CID59566689
Molecular FormulaC13H22O3Si
Molecular Weight254.40 g/mol
Exact Mass254.13
IUPAC Name2-(3,4-dimethylphenyl)ethyl-trimethoxysilane
SMILESCO[Si](CCc1ccc(C)c(C)c1)(OC)OC
InChIInChI=1S/C13H22O3Si/c1-11-6-7-13(10-12(11)2)8-9-17(14-3,15-4)16-5/h6-7,10H,8-9H2,1-5H3
InChIKeyLRPOEQZHXDYSGK-UHFFFAOYSA-N
XLogP2.72
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trimethoxy-[2-[3-(2-trimethoxysilylethyl)phenyl]ethyl]silane
CID 56847492
[bis(hydroxymethyl)-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]methanol
CID 123655126
N-(hydrazinylmethyl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 115261071
(4-methoxy-3-methylphenyl)methylphosphane
CID 89138390
5-(2-hydroxyethyl)-2-methoxyphenol;2-(4-methoxy-3-methylphenyl)ethanol
CID 167594575
2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl-trimethoxysilane
CID 170900368
4-(3-chloropropyl)-1-methoxy-2-methylbenzene
CID 116926643
N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-oxopropanamide
CID 115175869
N-(2-methoxyethyl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 64867078
N-ethyl-3-(4-methoxy-3-methylphenyl)propan-1-amine
CID 98014025
2-(3-methoxy-4-methylphenyl)ethanamine
CID 13015320
3-[2-(4-methoxy-3-methylphenyl)ethylamino]-3-oxopropanoic acid
CID 115163503

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)ethyl-trimethoxysilane?
The IUPAC name of 2-(3,4-dimethylphenyl)ethyl-trimethoxysilane (CID 59566689) is 2-(3,4-dimethylphenyl)ethyl-trimethoxysilane.
What is the SMILES notation for 2-(3,4-dimethylphenyl)ethyl-trimethoxysilane?
The canonical SMILES for 2-(3,4-dimethylphenyl)ethyl-trimethoxysilane is CO[Si](CCc1ccc(C)c(C)c1)(OC)OC.
What is the InChIKey of 2-(3,4-dimethylphenyl)ethyl-trimethoxysilane?
The InChIKey is LRPOEQZHXDYSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3Si/c1-11-6-7-13(10-12(11)2)8-9-17(14-3,15-4)16-5/h6-7,10H,8-9H2,1-5H3.
What are the key properties of 2-(3,4-dimethylphenyl)ethyl-trimethoxysilane?
2-(3,4-dimethylphenyl)ethyl-trimethoxysilane has a molecular weight of 254.40 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)ethyl-trimethoxysilane is sourced from PubChem (CID 59566689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).