triethoxy-[(3-methoxy-2,5-dimethylphenyl)methyl]silane

C16H28O4Si — CID 59566922

IUPACtriethoxy-[(3-methoxy-2,5-dimethylphenyl)methyl]silane
SMILESCCO[Si](Cc1cc(C)cc(OC)c1C)(OCC)OCC
InChIInChI=1S/C16H28O4Si/c1-7-18-21(19-8-2,20-9-3)12-15-10-13(4)11-16(17-6)14(15)5/h10-11H,7-9,12H2,1-6H3
InChIKeyJNTXDNAQQIMBOH-UHFFFAOYSA-N
MW312.48 g/mol
LogP3.44
Rot. Bonds9

About triethoxy-[(3-methoxy-2,5-dimethylphenyl)methyl]silane

triethoxy-[(3-methoxy-2,5-dimethylphenyl)methyl]silane (PubChem CID 59566922) has the molecular formula C16H28O4Si and a molecular weight of 312.48 g/mol. Its IUPAC name is triethoxy-[(3-methoxy-2,5-dimethylphenyl)methyl]silane.

Molecular Properties

Compound Nametriethoxy-[(3-methoxy-2,5-dimethylphenyl)methyl]silane
PubChem CID59566922
Molecular FormulaC16H28O4Si
Molecular Weight312.48 g/mol
Exact Mass312.18
IUPAC Nametriethoxy-[(3-methoxy-2,5-dimethylphenyl)methyl]silane
SMILESCCO[Si](Cc1cc(C)cc(OC)c1C)(OCC)OCC
InChIInChI=1S/C16H28O4Si/c1-7-18-21(19-8-2,20-9-3)12-15-10-13(4)11-16(17-6)14(15)5/h10-11H,7-9,12H2,1-6H3
InChIKeyJNTXDNAQQIMBOH-UHFFFAOYSA-N
XLogP3.44
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

triethoxy-[2-(3-methoxy-2,5-dimethylphenyl)ethyl]silane
CID 90121057
triethoxy-[(5-methoxy-2,4-dimethylphenyl)methyl]silane
CID 59566722
(3-methoxy-2,5-dimethylphenyl)methanamine
CID 119023643
triethoxy-[(6-methoxy-2,3-dimethylphenyl)methyl]silane
CID 59566888
1-ethoxy-3-methoxy-2,5-dimethylbenzene
CID 59933516
1,3-dimethoxy-2,5-dimethylbenzene
CID 524839
2-(3-methoxy-2,5-dimethylphenyl)acetic acid
CID 118998759
triethoxy-[(2-methoxy-6-methylphenyl)methyl]silane
CID 59566744
2-ethyl-6-methoxy-4-methylphenol
CID 23597037
ethyl 2-amino-3-(2-hydroxy-3-methoxy-5-methylphenyl)propanoate
CID 170885808
1-ethoxy-2-methoxy-5-methyl-3-prop-2-enylbenzene
CID 21129917
(2,4-dimethoxy-6-methylphenyl)-triethoxysilane
CID 59566915

Frequently Asked Questions

What is the IUPAC name of triethoxy-[(3-methoxy-2,5-dimethylphenyl)methyl]silane?
The IUPAC name of triethoxy-[(3-methoxy-2,5-dimethylphenyl)methyl]silane (CID 59566922) is triethoxy-[(3-methoxy-2,5-dimethylphenyl)methyl]silane.
What is the SMILES notation for triethoxy-[(3-methoxy-2,5-dimethylphenyl)methyl]silane?
The canonical SMILES for triethoxy-[(3-methoxy-2,5-dimethylphenyl)methyl]silane is CCO[Si](Cc1cc(C)cc(OC)c1C)(OCC)OCC.
What is the InChIKey of triethoxy-[(3-methoxy-2,5-dimethylphenyl)methyl]silane?
The InChIKey is JNTXDNAQQIMBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4Si/c1-7-18-21(19-8-2,20-9-3)12-15-10-13(4)11-16(17-6)14(15)5/h10-11H,7-9,12H2,1-6H3.
What are the key properties of triethoxy-[(3-methoxy-2,5-dimethylphenyl)methyl]silane?
triethoxy-[(3-methoxy-2,5-dimethylphenyl)methyl]silane has a molecular weight of 312.48 g/mol, XLogP of 3.44, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[(3-methoxy-2,5-dimethylphenyl)methyl]silane is sourced from PubChem (CID 59566922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).