1,1,2-triethoxy-2-ethyl-3-propylsilinane

C16H34O3Si — CID 175326651

IUPAC1,1,2-triethoxy-2-ethyl-3-propylsilinane
SMILESCCCC1CCC[Si](OCC)(OCC)C1(CC)OCC
InChIInChI=1S/C16H34O3Si/c1-6-12-15-13-11-14-20(18-9-4,19-10-5)16(15,7-2)17-8-3/h15H,6-14H2,1-5H3
InChIKeyFIUJJZJOSHMMJW-UHFFFAOYSA-N
MW302.53 g/mol
LogP4.44
Rot. Bonds9

About 1,1,2-triethoxy-2-ethyl-3-propylsilinane

1,1,2-triethoxy-2-ethyl-3-propylsilinane (PubChem CID 175326651) has the molecular formula C16H34O3Si and a molecular weight of 302.53 g/mol. Its IUPAC name is 1,1,2-triethoxy-2-ethyl-3-propylsilinane.

Molecular Properties

Compound Name1,1,2-triethoxy-2-ethyl-3-propylsilinane
PubChem CID175326651
Molecular FormulaC16H34O3Si
Molecular Weight302.53 g/mol
Exact Mass302.23
IUPAC Name1,1,2-triethoxy-2-ethyl-3-propylsilinane
SMILESCCCC1CCC[Si](OCC)(OCC)C1(CC)OCC
InChIInChI=1S/C16H34O3Si/c1-6-12-15-13-11-14-20(18-9-4,19-10-5)16(15,7-2)17-8-3/h15H,6-14H2,1-5H3
InChIKeyFIUJJZJOSHMMJW-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-ethyl-3-propylsilinane?
The IUPAC name of 1,1,2-triethoxy-2-ethyl-3-propylsilinane (CID 175326651) is 1,1,2-triethoxy-2-ethyl-3-propylsilinane.
What is the SMILES notation for 1,1,2-triethoxy-2-ethyl-3-propylsilinane?
The canonical SMILES for 1,1,2-triethoxy-2-ethyl-3-propylsilinane is CCCC1CCC[Si](OCC)(OCC)C1(CC)OCC.
What is the InChIKey of 1,1,2-triethoxy-2-ethyl-3-propylsilinane?
The InChIKey is FIUJJZJOSHMMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3Si/c1-6-12-15-13-11-14-20(18-9-4,19-10-5)16(15,7-2)17-8-3/h15H,6-14H2,1-5H3.
What are the key properties of 1,1,2-triethoxy-2-ethyl-3-propylsilinane?
1,1,2-triethoxy-2-ethyl-3-propylsilinane 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-ethyl-3-propylsilinane is sourced from PubChem (CID 175326651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).