1,1,2-triethoxy-2-propylsilinane

C14H30O3Si — CID 174369209

IUPAC1,1,2-triethoxy-2-propylsilinane
SMILESCCCC1(OCC)CCCC[Si]1(OCC)OCC
InChIInChI=1S/C14H30O3Si/c1-5-11-14(15-6-2)12-9-10-13-18(14,16-7-3)17-8-4/h5-13H2,1-4H3
InChIKeyRNEPWPBNYPXXCB-UHFFFAOYSA-N
MW274.48 g/mol
LogP3.80
Rot. Bonds8

About 1,1,2-triethoxy-2-propylsilinane

1,1,2-triethoxy-2-propylsilinane (PubChem CID 174369209) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is 1,1,2-triethoxy-2-propylsilinane.

Molecular Properties

Compound Name1,1,2-triethoxy-2-propylsilinane
PubChem CID174369209
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Name1,1,2-triethoxy-2-propylsilinane
SMILESCCCC1(OCC)CCCC[Si]1(OCC)OCC
InChIInChI=1S/C14H30O3Si/c1-5-11-14(15-6-2)12-9-10-13-18(14,16-7-3)17-8-4/h5-13H2,1-4H3
InChIKeyRNEPWPBNYPXXCB-UHFFFAOYSA-N
XLogP3.80
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 53.80
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-propylsilinane?
The IUPAC name of 1,1,2-triethoxy-2-propylsilinane (CID 174369209) is 1,1,2-triethoxy-2-propylsilinane.
What is the SMILES notation for 1,1,2-triethoxy-2-propylsilinane?
The canonical SMILES for 1,1,2-triethoxy-2-propylsilinane is CCCC1(OCC)CCCC[Si]1(OCC)OCC.
What is the InChIKey of 1,1,2-triethoxy-2-propylsilinane?
The InChIKey is RNEPWPBNYPXXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-5-11-14(15-6-2)12-9-10-13-18(14,16-7-3)17-8-4/h5-13H2,1-4H3.
What are the key properties of 1,1,2-triethoxy-2-propylsilinane?
1,1,2-triethoxy-2-propylsilinane has a molecular weight of 274.48 g/mol, XLogP of 3.80, 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-propylsilinane is sourced from PubChem (CID 174369209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).