3-(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxetane

C14H28O4Si — CID 174604447

IUPAC3-(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxetane
SMILESCCCC1(OC)C(C2COC2)CCC[Si]1(OC)OC
InChIInChI=1S/C14H28O4Si/c1-5-8-14(15-2)13(12-10-18-11-12)7-6-9-19(14,16-3)17-4/h12-13H,5-11H2,1-4H3
InChIKeyZWWZIXOWQJTAGC-UHFFFAOYSA-N
MW288.46 g/mol
LogP2.50
Rot. Bonds6

About 3-(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxetane

3-(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxetane (PubChem CID 174604447) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is 3-(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxetane.

Molecular Properties

Compound Name3-(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxetane
PubChem CID174604447
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name3-(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxetane
SMILESCCCC1(OC)C(C2COC2)CCC[Si]1(OC)OC
InChIInChI=1S/C14H28O4Si/c1-5-8-14(15-2)13(12-10-18-11-12)7-6-9-19(14,16-3)17-4/h12-13H,5-11H2,1-4H3
InChIKeyZWWZIXOWQJTAGC-UHFFFAOYSA-N
XLogP2.50
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxetane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxetane?
The IUPAC name of 3-(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxetane (CID 174604447) is 3-(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxetane.
What is the SMILES notation for 3-(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxetane?
The canonical SMILES for 3-(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxetane is CCCC1(OC)C(C2COC2)CCC[Si]1(OC)OC.
What is the InChIKey of 3-(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxetane?
The InChIKey is ZWWZIXOWQJTAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-5-8-14(15-2)13(12-10-18-11-12)7-6-9-19(14,16-3)17-4/h12-13H,5-11H2,1-4H3.
What are the key properties of 3-(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxetane?
3-(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxetane has a molecular weight of 288.46 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxetane is sourced from PubChem (CID 174604447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).