[2-(ethoxymethyl)-4-methyl-2-(2-methylpropyl)pentoxy]-dimethyl-(4-methylphenyl)silane

C22H40O2Si — CID 69303472

IUPAC[2-(ethoxymethyl)-4-methyl-2-(2-methylpropyl)pentoxy]-dimethyl-(4-methylphenyl)silane
SMILESCCOCC(CO[Si](C)(C)c1ccc(C)cc1)(CC(C)C)CC(C)C
InChIInChI=1S/C22H40O2Si/c1-9-23-16-22(14-18(2)3,15-19(4)5)17-24-25(7,8)21-12-10-20(6)11-13-21/h10-13,18-19H,9,14-17H2,1-8H3
InChIKeyLQKBRKSVFRQOCF-UHFFFAOYSA-N
MW364.65 g/mol
LogP5.54
Rot. Bonds11

About [2-(ethoxymethyl)-4-methyl-2-(2-methylpropyl)pentoxy]-dimethyl-(4-methylphenyl)silane

[2-(ethoxymethyl)-4-methyl-2-(2-methylpropyl)pentoxy]-dimethyl-(4-methylphenyl)silane (PubChem CID 69303472) has the molecular formula C22H40O2Si and a molecular weight of 364.65 g/mol. Its IUPAC name is [2-(ethoxymethyl)-4-methyl-2-(2-methylpropyl)pentoxy]-dimethyl-(4-methylphenyl)silane.

Molecular Properties

Compound Name[2-(ethoxymethyl)-4-methyl-2-(2-methylpropyl)pentoxy]-dimethyl-(4-methylphenyl)silane
PubChem CID69303472
Molecular FormulaC22H40O2Si
Molecular Weight364.65 g/mol
Exact Mass364.28
IUPAC Name[2-(ethoxymethyl)-4-methyl-2-(2-methylpropyl)pentoxy]-dimethyl-(4-methylphenyl)silane
SMILESCCOCC(CO[Si](C)(C)c1ccc(C)cc1)(CC(C)C)CC(C)C
InChIInChI=1S/C22H40O2Si/c1-9-23-16-22(14-18(2)3,15-19(4)5)17-24-25(7,8)21-12-10-20(6)11-13-21/h10-13,18-19H,9,14-17H2,1-8H3
InChIKeyLQKBRKSVFRQOCF-UHFFFAOYSA-N
XLogP5.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.65
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(ethoxymethyl)-4-methyl-2-(2-methylpropyl)pentoxy]-dimethyl-(4-methylphenyl)silane?
The IUPAC name of [2-(ethoxymethyl)-4-methyl-2-(2-methylpropyl)pentoxy]-dimethyl-(4-methylphenyl)silane (CID 69303472) is [2-(ethoxymethyl)-4-methyl-2-(2-methylpropyl)pentoxy]-dimethyl-(4-methylphenyl)silane.
What is the SMILES notation for [2-(ethoxymethyl)-4-methyl-2-(2-methylpropyl)pentoxy]-dimethyl-(4-methylphenyl)silane?
The canonical SMILES for [2-(ethoxymethyl)-4-methyl-2-(2-methylpropyl)pentoxy]-dimethyl-(4-methylphenyl)silane is CCOCC(CO[Si](C)(C)c1ccc(C)cc1)(CC(C)C)CC(C)C.
What is the InChIKey of [2-(ethoxymethyl)-4-methyl-2-(2-methylpropyl)pentoxy]-dimethyl-(4-methylphenyl)silane?
The InChIKey is LQKBRKSVFRQOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O2Si/c1-9-23-16-22(14-18(2)3,15-19(4)5)17-24-25(7,8)21-12-10-20(6)11-13-21/h10-13,18-19H,9,14-17H2,1-8H3.
What are the key properties of [2-(ethoxymethyl)-4-methyl-2-(2-methylpropyl)pentoxy]-dimethyl-(4-methylphenyl)silane?
[2-(ethoxymethyl)-4-methyl-2-(2-methylpropyl)pentoxy]-dimethyl-(4-methylphenyl)silane has a molecular weight of 364.65 g/mol, XLogP of 5.54, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxymethyl)-4-methyl-2-(2-methylpropyl)pentoxy]-dimethyl-(4-methylphenyl)silane is sourced from PubChem (CID 69303472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).