2-(3,4-dimethoxyphenyl)ethoxy-trimethylsilane

C13H22O3Si — CID 121004210

IUPAC2-(3,4-dimethoxyphenyl)ethoxy-trimethylsilane
SMILESCOc1ccc(CCO[Si](C)(C)C)cc1OC
InChIInChI=1S/C13H22O3Si/c1-14-12-7-6-11(10-13(12)15-2)8-9-16-17(3,4)5/h6-7,10H,8-9H2,1-5H3
InChIKeyYIKTVHTYLKGTFC-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.10
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)ethoxy-trimethylsilane

2-(3,4-dimethoxyphenyl)ethoxy-trimethylsilane (PubChem CID 121004210) has the molecular formula C13H22O3Si and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)ethoxy-trimethylsilane.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)ethoxy-trimethylsilane
PubChem CID121004210
Molecular FormulaC13H22O3Si
Molecular Weight254.40 g/mol
Exact Mass254.13
IUPAC Name2-(3,4-dimethoxyphenyl)ethoxy-trimethylsilane
SMILESCOc1ccc(CCO[Si](C)(C)C)cc1OC
InChIInChI=1S/C13H22O3Si/c1-14-12-7-6-11(10-13(12)15-2)8-9-16-17(3,4)5/h6-7,10H,8-9H2,1-5H3
InChIKeyYIKTVHTYLKGTFC-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
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

[2-methoxy-4-[2-(2-trimethylsilyloxyethoxy)ethyl]phenoxy]-trimethylsilane
CID 568566
4-(3-hydroperoxypropyl)-1,2-dimethoxybenzene
CID 166514951
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
1,2-dimethoxy-4-(4-methoxybutyl)benzene
CID 70361362
4-[2-[2-(3,4-dimethoxyphenyl)ethyldiselanyl]ethyl]-1,2-dimethoxybenzene
CID 13133800
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
bis[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
CID 5715
N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-imine
CID 10857049
4-(4-iodobutyl)-1,2-dimethoxybenzene
CID 86035361
2-(3,4-dimethoxyphenyl)ethylhydrazine
CID 18070259
2-(3-methoxy-4-trimethylsilyloxyphenyl)-N-trimethylsilylethanamine
CID 530100

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)ethoxy-trimethylsilane?
The IUPAC name of 2-(3,4-dimethoxyphenyl)ethoxy-trimethylsilane (CID 121004210) is 2-(3,4-dimethoxyphenyl)ethoxy-trimethylsilane.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)ethoxy-trimethylsilane?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)ethoxy-trimethylsilane is COc1ccc(CCO[Si](C)(C)C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)ethoxy-trimethylsilane?
The InChIKey is YIKTVHTYLKGTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3Si/c1-14-12-7-6-11(10-13(12)15-2)8-9-16-17(3,4)5/h6-7,10H,8-9H2,1-5H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)ethoxy-trimethylsilane?
2-(3,4-dimethoxyphenyl)ethoxy-trimethylsilane has a molecular weight of 254.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)ethoxy-trimethylsilane is sourced from PubChem (CID 121004210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).