[1-ethoxy-2-(ethoxymethyl)-5-methylhexan-2-yl]oxy-trimethylsilane

C15H34O3Si — CID 19985356

IUPAC[1-ethoxy-2-(ethoxymethyl)-5-methylhexan-2-yl]oxy-trimethylsilane
SMILESCCOCC(CCC(C)C)(COCC)O[Si](C)(C)C
InChIInChI=1S/C15H34O3Si/c1-8-16-12-15(13-17-9-2,11-10-14(3)4)18-19(5,6)7/h14H,8-13H2,1-7H3
InChIKeyCKSFFCCNTSEAPY-UHFFFAOYSA-N
MW290.52 g/mol
LogP4.09
Rot. Bonds11

About [1-ethoxy-2-(ethoxymethyl)-5-methylhexan-2-yl]oxy-trimethylsilane

[1-ethoxy-2-(ethoxymethyl)-5-methylhexan-2-yl]oxy-trimethylsilane (PubChem CID 19985356) has the molecular formula C15H34O3Si and a molecular weight of 290.52 g/mol. Its IUPAC name is [1-ethoxy-2-(ethoxymethyl)-5-methylhexan-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[1-ethoxy-2-(ethoxymethyl)-5-methylhexan-2-yl]oxy-trimethylsilane
PubChem CID19985356
Molecular FormulaC15H34O3Si
Molecular Weight290.52 g/mol
Exact Mass290.23
IUPAC Name[1-ethoxy-2-(ethoxymethyl)-5-methylhexan-2-yl]oxy-trimethylsilane
SMILESCCOCC(CCC(C)C)(COCC)O[Si](C)(C)C
InChIInChI=1S/C15H34O3Si/c1-8-16-12-15(13-17-9-2,11-10-14(3)4)18-19(5,6)7/h14H,8-13H2,1-7H3
InChIKeyCKSFFCCNTSEAPY-UHFFFAOYSA-N
XLogP4.09
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.52
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [1-ethoxy-2-(ethoxymethyl)-5-methylhexan-2-yl]oxy-trimethylsilane?
The IUPAC name of [1-ethoxy-2-(ethoxymethyl)-5-methylhexan-2-yl]oxy-trimethylsilane (CID 19985356) is [1-ethoxy-2-(ethoxymethyl)-5-methylhexan-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [1-ethoxy-2-(ethoxymethyl)-5-methylhexan-2-yl]oxy-trimethylsilane?
The canonical SMILES for [1-ethoxy-2-(ethoxymethyl)-5-methylhexan-2-yl]oxy-trimethylsilane is CCOCC(CCC(C)C)(COCC)O[Si](C)(C)C.
What is the InChIKey of [1-ethoxy-2-(ethoxymethyl)-5-methylhexan-2-yl]oxy-trimethylsilane?
The InChIKey is CKSFFCCNTSEAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34O3Si/c1-8-16-12-15(13-17-9-2,11-10-14(3)4)18-19(5,6)7/h14H,8-13H2,1-7H3.
What are the key properties of [1-ethoxy-2-(ethoxymethyl)-5-methylhexan-2-yl]oxy-trimethylsilane?
[1-ethoxy-2-(ethoxymethyl)-5-methylhexan-2-yl]oxy-trimethylsilane has a molecular weight of 290.52 g/mol, XLogP of 4.09, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethoxy-2-(ethoxymethyl)-5-methylhexan-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 19985356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).