1,1,2-triethoxy-2-ethyl-3-propan-2-ylsilinane

C16H34O3Si — CID 174838152

IUPAC1,1,2-triethoxy-2-ethyl-3-propan-2-ylsilinane
SMILESCCOC1(CC)C(C(C)C)CCC[Si]1(OCC)OCC
InChIInChI=1S/C16H34O3Si/c1-7-16(17-8-2)15(14(5)6)12-11-13-20(16,18-9-3)19-10-4/h14-15H,7-13H2,1-6H3
InChIKeyKAOGBNUZMXBOEV-UHFFFAOYSA-N
MW302.53 g/mol
LogP4.29
Rot. Bonds8

About 1,1,2-triethoxy-2-ethyl-3-propan-2-ylsilinane

1,1,2-triethoxy-2-ethyl-3-propan-2-ylsilinane (PubChem CID 174838152) 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-propan-2-ylsilinane.

Molecular Properties

Compound Name1,1,2-triethoxy-2-ethyl-3-propan-2-ylsilinane
PubChem CID174838152
Molecular FormulaC16H34O3Si
Molecular Weight302.53 g/mol
Exact Mass302.23
IUPAC Name1,1,2-triethoxy-2-ethyl-3-propan-2-ylsilinane
SMILESCCOC1(CC)C(C(C)C)CCC[Si]1(OCC)OCC
InChIInChI=1S/C16H34O3Si/c1-7-16(17-8-2)15(14(5)6)12-11-13-20(16,18-9-3)19-10-4/h14-15H,7-13H2,1-6H3
InChIKeyKAOGBNUZMXBOEV-UHFFFAOYSA-N
XLogP4.29
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 54.29
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-propan-2-ylsilinane?
The IUPAC name of 1,1,2-triethoxy-2-ethyl-3-propan-2-ylsilinane (CID 174838152) is 1,1,2-triethoxy-2-ethyl-3-propan-2-ylsilinane.
What is the SMILES notation for 1,1,2-triethoxy-2-ethyl-3-propan-2-ylsilinane?
The canonical SMILES for 1,1,2-triethoxy-2-ethyl-3-propan-2-ylsilinane is CCOC1(CC)C(C(C)C)CCC[Si]1(OCC)OCC.
What is the InChIKey of 1,1,2-triethoxy-2-ethyl-3-propan-2-ylsilinane?
The InChIKey is KAOGBNUZMXBOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3Si/c1-7-16(17-8-2)15(14(5)6)12-11-13-20(16,18-9-3)19-10-4/h14-15H,7-13H2,1-6H3.
What are the key properties of 1,1,2-triethoxy-2-ethyl-3-propan-2-ylsilinane?
1,1,2-triethoxy-2-ethyl-3-propan-2-ylsilinane has a molecular weight of 302.53 g/mol, XLogP of 4.29, 8 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-propan-2-ylsilinane is sourced from PubChem (CID 174838152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).