1,1,2-triethoxy-2-(3-methylbutyl)silinane

C16H34O3Si — CID 174648839

IUPAC1,1,2-triethoxy-2-(3-methylbutyl)silinane
SMILESCCOC1(CCC(C)C)CCCC[Si]1(OCC)OCC
InChIInChI=1S/C16H34O3Si/c1-6-17-16(13-11-15(4)5)12-9-10-14-20(16,18-7-2)19-8-3/h15H,6-14H2,1-5H3
InChIKeyQDMINCLYKRRZAB-UHFFFAOYSA-N
MW302.53 g/mol
LogP4.44
Rot. Bonds9

About 1,1,2-triethoxy-2-(3-methylbutyl)silinane

1,1,2-triethoxy-2-(3-methylbutyl)silinane (PubChem CID 174648839) has the molecular formula C16H34O3Si and a molecular weight of 302.53 g/mol. Its IUPAC name is 1,1,2-triethoxy-2-(3-methylbutyl)silinane.

Molecular Properties

Compound Name1,1,2-triethoxy-2-(3-methylbutyl)silinane
PubChem CID174648839
Molecular FormulaC16H34O3Si
Molecular Weight302.53 g/mol
Exact Mass302.23
IUPAC Name1,1,2-triethoxy-2-(3-methylbutyl)silinane
SMILESCCOC1(CCC(C)C)CCCC[Si]1(OCC)OCC
InChIInChI=1S/C16H34O3Si/c1-6-17-16(13-11-15(4)5)12-9-10-14-20(16,18-7-2)19-8-3/h15H,6-14H2,1-5H3
InChIKeyQDMINCLYKRRZAB-UHFFFAOYSA-N
XLogP4.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 54.44
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 1,1,2-triethoxy-2-(3-methylbutyl)silinane?
The IUPAC name of 1,1,2-triethoxy-2-(3-methylbutyl)silinane (CID 174648839) is 1,1,2-triethoxy-2-(3-methylbutyl)silinane.
What is the SMILES notation for 1,1,2-triethoxy-2-(3-methylbutyl)silinane?
The canonical SMILES for 1,1,2-triethoxy-2-(3-methylbutyl)silinane is CCOC1(CCC(C)C)CCCC[Si]1(OCC)OCC.
What is the InChIKey of 1,1,2-triethoxy-2-(3-methylbutyl)silinane?
The InChIKey is QDMINCLYKRRZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3Si/c1-6-17-16(13-11-15(4)5)12-9-10-14-20(16,18-7-2)19-8-3/h15H,6-14H2,1-5H3.
What are the key properties of 1,1,2-triethoxy-2-(3-methylbutyl)silinane?
1,1,2-triethoxy-2-(3-methylbutyl)silinane has a molecular weight of 302.53 g/mol, XLogP of 4.44, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-triethoxy-2-(3-methylbutyl)silinane is sourced from PubChem (CID 174648839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).