3-ethyl-3-(4-methoxybutoxymethyl)oxetane;3-ethyl-3-(6-methoxyhexoxymethyl)oxetane;3-ethyl-3-(5-methoxypentoxymethyl)oxetane;3-ethyl-3-(3-methoxypropoxymethyl)oxetane

C46H92O12 — CID 157403854

IUPAC3-ethyl-3-(4-methoxybutoxymethyl)oxetane;3-ethyl-3-(6-methoxyhexoxymethyl)oxetane;3-ethyl-3-(5-methoxypentoxymethyl)oxetane;3-ethyl-3-(3-methoxypropoxymethyl)oxetane
SMILESCCC1(COCCCCCCOC)COC1.CCC1(COCCCCCOC)COC1.CCC1(COCCCCOC)COC1.CCC1(COCCCOC)COC1
InChIInChI=1S/C13H26O3.C12H24O3.C11H22O3.C10H20O3/c1-3-13(11-16-12-13)10-15-9-7-5-4-6-8-14-2;1-3-12(10-15-11-12)9-14-8-6-4-5-7-13-2;1-3-11(9-14-10-11)8-13-7-5-4-6-12-2;1-3-10(8-13-9-10)7-12-6-4-5-11-2/h3-12H2,1-2H3;3-11H2,1-2H3;3-10H2,1-2H3;3-9H2,1-2H3
InChIKeyBNMIBAGAFSKLSK-UHFFFAOYSA-N
MW837.23 g/mol
LogP8.20
Rot. Bonds34

About 3-ethyl-3-(4-methoxybutoxymethyl)oxetane;3-ethyl-3-(6-methoxyhexoxymethyl)oxetane;3-ethyl-3-(5-methoxypentoxymethyl)oxetane;3-ethyl-3-(3-methoxypropoxymethyl)oxetane

3-ethyl-3-(4-methoxybutoxymethyl)oxetane;3-ethyl-3-(6-methoxyhexoxymethyl)oxetane;3-ethyl-3-(5-methoxypentoxymethyl)oxetane;3-ethyl-3-(3-methoxypropoxymethyl)oxetane (PubChem CID 157403854) has the molecular formula C46H92O12 and a molecular weight of 837.23 g/mol. Its IUPAC name is 3-ethyl-3-(4-methoxybutoxymethyl)oxetane;3-ethyl-3-(6-methoxyhexoxymethyl)oxetane;3-ethyl-3-(5-methoxypentoxymethyl)oxetane;3-ethyl-3-(3-methoxypropoxymethyl)oxetane.

Molecular Properties

Compound Name3-ethyl-3-(4-methoxybutoxymethyl)oxetane;3-ethyl-3-(6-methoxyhexoxymethyl)oxetane;3-ethyl-3-(5-methoxypentoxymethyl)oxetane;3-ethyl-3-(3-methoxypropoxymethyl)oxetane
PubChem CID157403854
Molecular FormulaC46H92O12
Molecular Weight837.23 g/mol
Exact Mass836.66
IUPAC Name3-ethyl-3-(4-methoxybutoxymethyl)oxetane;3-ethyl-3-(6-methoxyhexoxymethyl)oxetane;3-ethyl-3-(5-methoxypentoxymethyl)oxetane;3-ethyl-3-(3-methoxypropoxymethyl)oxetane
SMILESCCC1(COCCCCCCOC)COC1.CCC1(COCCCCCOC)COC1.CCC1(COCCCCOC)COC1.CCC1(COCCCOC)COC1
InChIInChI=1S/C13H26O3.C12H24O3.C11H22O3.C10H20O3/c1-3-13(11-16-12-13)10-15-9-7-5-4-6-8-14-2;1-3-12(10-15-11-12)9-14-8-6-4-5-7-13-2;1-3-11(9-14-10-11)8-13-7-5-4-6-12-2;1-3-10(8-13-9-10)7-12-6-4-5-11-2/h3-12H2,1-2H3;3-11H2,1-2H3;3-10H2,1-2H3;3-9H2,1-2H3
InChIKeyBNMIBAGAFSKLSK-UHFFFAOYSA-N
XLogP8.20
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds34
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500837.23
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 3-ethyl-3-(4-methoxybutoxymethyl)oxetane;3-ethyl-3-(6-methoxyhexoxymethyl)oxetane;3-ethyl-3-(5-methoxypentoxymethyl)oxetane;3-ethyl-3-(3-methoxypropoxymethyl)oxetane with MolForge

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Related Compounds

3-ethyl-3-(octadecoxymethyl)oxetane
CID 22496628
3-(butoxymethyl)-3-ethyloxetane;3,3-diethyloxetane
CID 160915976
4-[(3-ethyloxetan-3-yl)methoxy]butan-1-ol
CID 161051852
3,3-bis(octoxymethyl)oxetane
CID 58963686
3-(6-methoxyhexoxymethyl)-3-methyloxetane
CID 59747426
3-[3-[3-(3-cyclohexyloxypropoxy)propoxy]propoxymethyl]-3-ethyloxetane
CID 58963674
3-[(3-ethyloxetan-3-yl)methoxy]propyl-hydroxy-dimethylsilane
CID 59434230
ethyl-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]-dimethoxysilane
CID 141043104
3-[2-(2-bromoethoxy)ethoxymethyl]-3-ethyloxetane
CID 58090262
3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]heptan-4-yloxymethyl]oxetane
CID 175533213
3-[4,4-bis[(3-ethyloxetan-3-yl)methoxymethyl]hexoxymethyl]-3-ethyloxetane
CID 59940311
1-[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]phenyl]ethanone
CID 59318851

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(4-methoxybutoxymethyl)oxetane;3-ethyl-3-(6-methoxyhexoxymethyl)oxetane;3-ethyl-3-(5-methoxypentoxymethyl)oxetane;3-ethyl-3-(3-methoxypropoxymethyl)oxetane?
The IUPAC name of 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) is 3-ethyl-3-(4-methoxybutoxymethyl)oxetane;3-ethyl-3-(6-methoxyhexoxymethyl)oxetane;3-ethyl-3-(5-methoxypentoxymethyl)oxetane;3-ethyl-3-(3-methoxypropoxymethyl)oxetane.
What is the SMILES notation for 3-ethyl-3-(4-methoxybutoxymethyl)oxetane;3-ethyl-3-(6-methoxyhexoxymethyl)oxetane;3-ethyl-3-(5-methoxypentoxymethyl)oxetane;3-ethyl-3-(3-methoxypropoxymethyl)oxetane?
The canonical SMILES for 3-ethyl-3-(4-methoxybutoxymethyl)oxetane;3-ethyl-3-(6-methoxyhexoxymethyl)oxetane;3-ethyl-3-(5-methoxypentoxymethyl)oxetane;3-ethyl-3-(3-methoxypropoxymethyl)oxetane is CCC1(COCCCCCCOC)COC1.CCC1(COCCCCCOC)COC1.CCC1(COCCCCOC)COC1.CCC1(COCCCOC)COC1.
What is the InChIKey of 3-ethyl-3-(4-methoxybutoxymethyl)oxetane;3-ethyl-3-(6-methoxyhexoxymethyl)oxetane;3-ethyl-3-(5-methoxypentoxymethyl)oxetane;3-ethyl-3-(3-methoxypropoxymethyl)oxetane?
The InChIKey is BNMIBAGAFSKLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3.C12H24O3.C11H22O3.C10H20O3/c1-3-13(11-16-12-13)10-15-9-7-5-4-6-8-14-2;1-3-12(10-15-11-12)9-14-8-6-4-5-7-13-2;1-3-11(9-14-10-11)8-13-7-5-4-6-12-2;1-3-10(8-13-9-10)7-12-6-4-5-11-2/h3-12H2,1-2H3;3-11H2,1-2H3;3-10H2,1-2H3;3-9H2,1-2H3.
What are the key properties of 3-ethyl-3-(4-methoxybutoxymethyl)oxetane;3-ethyl-3-(6-methoxyhexoxymethyl)oxetane;3-ethyl-3-(5-methoxypentoxymethyl)oxetane;3-ethyl-3-(3-methoxypropoxymethyl)oxetane?
3-ethyl-3-(4-methoxybutoxymethyl)oxetane;3-ethyl-3-(6-methoxyhexoxymethyl)oxetane;3-ethyl-3-(5-methoxypentoxymethyl)oxetane;3-ethyl-3-(3-methoxypropoxymethyl)oxetane has a molecular weight of 837.23 g/mol, XLogP of 8.20, 34 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(4-methoxybutoxymethyl)oxetane;3-ethyl-3-(6-methoxyhexoxymethyl)oxetane;3-ethyl-3-(5-methoxypentoxymethyl)oxetane;3-ethyl-3-(3-methoxypropoxymethyl)oxetane is sourced from PubChem (CID 157403854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).