3-ethyl-3-[(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxymethoxymethyl]oxetane

C18H36O6Si — CID 174779788

IUPAC3-ethyl-3-[(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxymethoxymethyl]oxetane
SMILESCCCC1(OC)C(OCOCC2(CC)COC2)CCC[Si]1(OC)OC
InChIInChI=1S/C18H36O6Si/c1-6-10-18(19-3)16(9-8-11-25(18,20-4)21-5)24-15-23-14-17(7-2)12-22-13-17/h16H,6-15H2,1-5H3
InChIKeyCZOJYGLKOBAOKK-UHFFFAOYSA-N
MW376.57 g/mol
LogP3.03
Rot. Bonds11

About 3-ethyl-3-[(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxymethoxymethyl]oxetane

3-ethyl-3-[(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxymethoxymethyl]oxetane (PubChem CID 174779788) has the molecular formula C18H36O6Si and a molecular weight of 376.57 g/mol. Its IUPAC name is 3-ethyl-3-[(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxymethoxymethyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxymethoxymethyl]oxetane
PubChem CID174779788
Molecular FormulaC18H36O6Si
Molecular Weight376.57 g/mol
Exact Mass376.23
IUPAC Name3-ethyl-3-[(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxymethoxymethyl]oxetane
SMILESCCCC1(OC)C(OCOCC2(CC)COC2)CCC[Si]1(OC)OC
InChIInChI=1S/C18H36O6Si/c1-6-10-18(19-3)16(9-8-11-25(18,20-4)21-5)24-15-23-14-17(7-2)12-22-13-17/h16H,6-15H2,1-5H3
InChIKeyCZOJYGLKOBAOKK-UHFFFAOYSA-N
XLogP3.03
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxymethoxymethyl]oxetane?
The IUPAC name of 3-ethyl-3-[(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxymethoxymethyl]oxetane (CID 174779788) is 3-ethyl-3-[(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxymethoxymethyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxymethoxymethyl]oxetane?
The canonical SMILES for 3-ethyl-3-[(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxymethoxymethyl]oxetane is CCCC1(OC)C(OCOCC2(CC)COC2)CCC[Si]1(OC)OC.
What is the InChIKey of 3-ethyl-3-[(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxymethoxymethyl]oxetane?
The InChIKey is CZOJYGLKOBAOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O6Si/c1-6-10-18(19-3)16(9-8-11-25(18,20-4)21-5)24-15-23-14-17(7-2)12-22-13-17/h16H,6-15H2,1-5H3.
What are the key properties of 3-ethyl-3-[(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxymethoxymethyl]oxetane?
3-ethyl-3-[(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxymethoxymethyl]oxetane has a molecular weight of 376.57 g/mol, XLogP of 3.03, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxymethoxymethyl]oxetane is sourced from PubChem (CID 174779788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).