3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]heptan-4-yloxymethyl]oxetane

C19H36O4 — CID 175533213

IUPAC3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]heptan-4-yloxymethyl]oxetane
SMILESCCCC(CCCOCC1(CC)COC1)OCC1(CC)COC1
InChIInChI=1S/C19H36O4/c1-4-8-17(23-16-19(6-3)14-22-15-19)9-7-10-20-11-18(5-2)12-21-13-18/h17H,4-16H2,1-3H3
InChIKeySXOXGMOQIXIFBI-UHFFFAOYSA-N
MW328.49 g/mol
LogP3.82
Rot. Bonds13

About 3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]heptan-4-yloxymethyl]oxetane

3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]heptan-4-yloxymethyl]oxetane (PubChem CID 175533213) has the molecular formula C19H36O4 and a molecular weight of 328.49 g/mol. Its IUPAC name is 3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]heptan-4-yloxymethyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]heptan-4-yloxymethyl]oxetane
PubChem CID175533213
Molecular FormulaC19H36O4
Molecular Weight328.49 g/mol
Exact Mass328.26
IUPAC Name3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]heptan-4-yloxymethyl]oxetane
SMILESCCCC(CCCOCC1(CC)COC1)OCC1(CC)COC1
InChIInChI=1S/C19H36O4/c1-4-8-17(23-16-19(6-3)14-22-15-19)9-7-10-20-11-18(5-2)12-21-13-18/h17H,4-16H2,1-3H3
InChIKeySXOXGMOQIXIFBI-UHFFFAOYSA-N
XLogP3.82
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(butoxymethyl)-3-ethyloxetane;3,3-diethyloxetane
CID 160915976
3-ethyl-3-(octadecoxymethyl)oxetane
CID 22496628
4-[(3-ethyloxetan-3-yl)methoxy]butan-1-ol
CID 161051852
3-ethyl-3-(4-methoxybutoxymethyl)oxetane;3-ethyl-3-(6-methoxyhexoxymethyl)oxetane;3-ethyl-3-(5-methoxypentoxymethyl)oxetane;3-ethyl-3-(3-methoxypropoxymethyl)oxetane
CID 157403854
3-[(3-ethyloxetan-3-yl)methoxy]propyl-hydroxy-dimethylsilane
CID 59434230
3,3-bis(octoxymethyl)oxetane
CID 58963686
3-[2-(2-bromoethoxy)ethoxymethyl]-3-ethyloxetane
CID 58090262
ethyl-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]-dimethoxysilane
CID 141043104
3-[4,4-bis[(3-ethyloxetan-3-yl)methoxymethyl]hexoxymethyl]-3-ethyloxetane
CID 59940311
3-[3-[3-(3-cyclohexyloxypropoxy)propoxy]propoxymethyl]-3-ethyloxetane
CID 58963674
3-ethyl-3-[1,1,1-tris[(3-ethyloxetan-3-yl)methoxy]pentan-2-yloxymethyl]oxetane
CID 141327303
5-[(3-ethyloxetan-3-yl)methoxy]-2-methylidenepentanoic acid
CID 68640152

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]heptan-4-yloxymethyl]oxetane?
The IUPAC name of 3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]heptan-4-yloxymethyl]oxetane (CID 175533213) is 3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]heptan-4-yloxymethyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]heptan-4-yloxymethyl]oxetane?
The canonical SMILES for 3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]heptan-4-yloxymethyl]oxetane is CCCC(CCCOCC1(CC)COC1)OCC1(CC)COC1.
What is the InChIKey of 3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]heptan-4-yloxymethyl]oxetane?
The InChIKey is SXOXGMOQIXIFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O4/c1-4-8-17(23-16-19(6-3)14-22-15-19)9-7-10-20-11-18(5-2)12-21-13-18/h17H,4-16H2,1-3H3.
What are the key properties of 3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]heptan-4-yloxymethyl]oxetane?
3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]heptan-4-yloxymethyl]oxetane has a molecular weight of 328.49 g/mol, XLogP of 3.82, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]heptan-4-yloxymethyl]oxetane is sourced from PubChem (CID 175533213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).