3-ethyl-1,1,2-trimethoxy-2-propylsilinane

C13H28O3Si — CID 174649006

IUPAC3-ethyl-1,1,2-trimethoxy-2-propylsilinane
SMILESCCCC1(OC)C(CC)CCC[Si]1(OC)OC
InChIInChI=1S/C13H28O3Si/c1-6-10-13(14-3)12(7-2)9-8-11-17(13,15-4)16-5/h12H,6-11H2,1-5H3
InChIKeyFWGHMQFLKOJIIF-UHFFFAOYSA-N
MW260.45 g/mol
LogP3.27
Rot. Bonds6

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

3-ethyl-1,1,2-trimethoxy-2-propylsilinane (PubChem CID 174649006) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is 3-ethyl-1,1,2-trimethoxy-2-propylsilinane.

Molecular Properties

Compound Name3-ethyl-1,1,2-trimethoxy-2-propylsilinane
PubChem CID174649006
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Name3-ethyl-1,1,2-trimethoxy-2-propylsilinane
SMILESCCCC1(OC)C(CC)CCC[Si]1(OC)OC
InChIInChI=1S/C13H28O3Si/c1-6-10-13(14-3)12(7-2)9-8-11-17(13,15-4)16-5/h12H,6-11H2,1-5H3
InChIKeyFWGHMQFLKOJIIF-UHFFFAOYSA-N
XLogP3.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 53.27
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 3-ethyl-1,1,2-trimethoxy-2-propylsilinane?
The IUPAC name of 3-ethyl-1,1,2-trimethoxy-2-propylsilinane (CID 174649006) is 3-ethyl-1,1,2-trimethoxy-2-propylsilinane.
What is the SMILES notation for 3-ethyl-1,1,2-trimethoxy-2-propylsilinane?
The canonical SMILES for 3-ethyl-1,1,2-trimethoxy-2-propylsilinane is CCCC1(OC)C(CC)CCC[Si]1(OC)OC.
What is the InChIKey of 3-ethyl-1,1,2-trimethoxy-2-propylsilinane?
The InChIKey is FWGHMQFLKOJIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-6-10-13(14-3)12(7-2)9-8-11-17(13,15-4)16-5/h12H,6-11H2,1-5H3.
What are the key properties of 3-ethyl-1,1,2-trimethoxy-2-propylsilinane?
3-ethyl-1,1,2-trimethoxy-2-propylsilinane has a molecular weight of 260.45 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,1,2-trimethoxy-2-propylsilinane is sourced from PubChem (CID 174649006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).