3-[4,4-bis[(3-ethyloxetan-3-yl)methoxymethyl]hexoxymethyl]-3-ethyloxetane

C26H48O6 — CID 59940311

IUPAC3-[4,4-bis[(3-ethyloxetan-3-yl)methoxymethyl]hexoxymethyl]-3-ethyloxetane
SMILESCCC(CCCOCC1(CC)COC1)(COCC1(CC)COC1)COCC1(CC)COC1
InChIInChI=1S/C26H48O6/c1-5-23(12-28-17-25(7-3)19-31-20-25,13-29-18-26(8-4)21-32-22-26)10-9-11-27-14-24(6-2)15-30-16-24/h5-22H2,1-4H3
InChIKeyFWGWKLIEPIILRS-UHFFFAOYSA-N
MW456.66 g/mol
LogP4.49
Rot. Bonds18

About 3-[4,4-bis[(3-ethyloxetan-3-yl)methoxymethyl]hexoxymethyl]-3-ethyloxetane

3-[4,4-bis[(3-ethyloxetan-3-yl)methoxymethyl]hexoxymethyl]-3-ethyloxetane (PubChem CID 59940311) has the molecular formula C26H48O6 and a molecular weight of 456.66 g/mol. Its IUPAC name is 3-[4,4-bis[(3-ethyloxetan-3-yl)methoxymethyl]hexoxymethyl]-3-ethyloxetane.

Molecular Properties

Compound Name3-[4,4-bis[(3-ethyloxetan-3-yl)methoxymethyl]hexoxymethyl]-3-ethyloxetane
PubChem CID59940311
Molecular FormulaC26H48O6
Molecular Weight456.66 g/mol
Exact Mass456.35
IUPAC Name3-[4,4-bis[(3-ethyloxetan-3-yl)methoxymethyl]hexoxymethyl]-3-ethyloxetane
SMILESCCC(CCCOCC1(CC)COC1)(COCC1(CC)COC1)COCC1(CC)COC1
InChIInChI=1S/C26H48O6/c1-5-23(12-28-17-25(7-3)19-31-20-25,13-29-18-26(8-4)21-32-22-26)10-9-11-27-14-24(6-2)15-30-16-24/h5-22H2,1-4H3
InChIKeyFWGWKLIEPIILRS-UHFFFAOYSA-N
XLogP4.49
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.66
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-ethyl-3-[[6-[(3-ethyloxetan-3-yl)methoxy]-2,2,3,3,4,4,5,5-octafluorohexoxy]methyl]oxetane
CID 11271083
3-[2-(2-bromoethoxy)ethoxymethyl]-3-ethyloxetane
CID 58090262
3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]heptan-4-yloxymethyl]oxetane
CID 175533213
ethyl-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]-dimethoxysilane
CID 141043104
3,3-bis(octoxymethyl)oxetane
CID 58963686
3-[3-[3-(3-cyclohexyloxypropoxy)propoxy]propoxymethyl]-3-ethyloxetane
CID 58963674
5-[(3-ethyloxetan-3-yl)methoxy]-2-methylidenepentanoic acid
CID 68640152

Frequently Asked Questions

What is the IUPAC name of 3-[4,4-bis[(3-ethyloxetan-3-yl)methoxymethyl]hexoxymethyl]-3-ethyloxetane?
The IUPAC name of 3-[4,4-bis[(3-ethyloxetan-3-yl)methoxymethyl]hexoxymethyl]-3-ethyloxetane (CID 59940311) is 3-[4,4-bis[(3-ethyloxetan-3-yl)methoxymethyl]hexoxymethyl]-3-ethyloxetane.
What is the SMILES notation for 3-[4,4-bis[(3-ethyloxetan-3-yl)methoxymethyl]hexoxymethyl]-3-ethyloxetane?
The canonical SMILES for 3-[4,4-bis[(3-ethyloxetan-3-yl)methoxymethyl]hexoxymethyl]-3-ethyloxetane is CCC(CCCOCC1(CC)COC1)(COCC1(CC)COC1)COCC1(CC)COC1.
What is the InChIKey of 3-[4,4-bis[(3-ethyloxetan-3-yl)methoxymethyl]hexoxymethyl]-3-ethyloxetane?
The InChIKey is FWGWKLIEPIILRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48O6/c1-5-23(12-28-17-25(7-3)19-31-20-25,13-29-18-26(8-4)21-32-22-26)10-9-11-27-14-24(6-2)15-30-16-24/h5-22H2,1-4H3.
What are the key properties of 3-[4,4-bis[(3-ethyloxetan-3-yl)methoxymethyl]hexoxymethyl]-3-ethyloxetane?
3-[4,4-bis[(3-ethyloxetan-3-yl)methoxymethyl]hexoxymethyl]-3-ethyloxetane has a molecular weight of 456.66 g/mol, XLogP of 4.49, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,4-bis[(3-ethyloxetan-3-yl)methoxymethyl]hexoxymethyl]-3-ethyloxetane is sourced from PubChem (CID 59940311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).