3-ethyl-2-[[3-[(3-ethyloxetan-2-yl)methoxy]-2,2-bis[(3-ethyloxetan-2-yl)methoxymethyl]propoxy]methyl]oxetane

C29H52O8 — CID 67226795

IUPAC3-ethyl-2-[[3-[(3-ethyloxetan-2-yl)methoxy]-2,2-bis[(3-ethyloxetan-2-yl)methoxymethyl]propoxy]methyl]oxetane
SMILESCCC1COC1COCC(COCC1OCC1CC)(COCC1OCC1CC)COCC1OCC1CC
InChIInChI=1S/C29H52O8/c1-5-21-9-34-25(21)13-30-17-29(18-31-14-26-22(6-2)10-35-26,19-32-15-27-23(7-3)11-36-27)20-33-16-28-24(8-4)12-37-28/h21-28H,5-20H2,1-4H3
InChIKeyDNICDFIXNOXAOC-UHFFFAOYSA-N
MW528.73 g/mol
LogP3.74
Rot. Bonds20

About 3-ethyl-2-[[3-[(3-ethyloxetan-2-yl)methoxy]-2,2-bis[(3-ethyloxetan-2-yl)methoxymethyl]propoxy]methyl]oxetane

3-ethyl-2-[[3-[(3-ethyloxetan-2-yl)methoxy]-2,2-bis[(3-ethyloxetan-2-yl)methoxymethyl]propoxy]methyl]oxetane (PubChem CID 67226795) has the molecular formula C29H52O8 and a molecular weight of 528.73 g/mol. Its IUPAC name is 3-ethyl-2-[[3-[(3-ethyloxetan-2-yl)methoxy]-2,2-bis[(3-ethyloxetan-2-yl)methoxymethyl]propoxy]methyl]oxetane.

Molecular Properties

Compound Name3-ethyl-2-[[3-[(3-ethyloxetan-2-yl)methoxy]-2,2-bis[(3-ethyloxetan-2-yl)methoxymethyl]propoxy]methyl]oxetane
PubChem CID67226795
Molecular FormulaC29H52O8
Molecular Weight528.73 g/mol
Exact Mass528.37
IUPAC Name3-ethyl-2-[[3-[(3-ethyloxetan-2-yl)methoxy]-2,2-bis[(3-ethyloxetan-2-yl)methoxymethyl]propoxy]methyl]oxetane
SMILESCCC1COC1COCC(COCC1OCC1CC)(COCC1OCC1CC)COCC1OCC1CC
InChIInChI=1S/C29H52O8/c1-5-21-9-34-25(21)13-30-17-29(18-31-14-26-22(6-2)10-35-26,19-32-15-27-23(7-3)11-36-27)20-33-16-28-24(8-4)12-37-28/h21-28H,5-20H2,1-4H3
InChIKeyDNICDFIXNOXAOC-UHFFFAOYSA-N
XLogP3.74
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.73
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Bis(3-ethyloxetanylmethyl) ether
CID 68654288
3-Ethyl-2-[4-[(3-ethyloxetan-2-yl)methoxy]butoxymethyl]oxetane
CID 18705345
Diethyl bis[(3-ethyloxetan-2-yl)methyl] silicate
CID 20255310
3-Ethyl-3-[1-[1-(3-ethyloxetan-3-yl)-2-(2-methylpropoxy)ethoxy]-2-(2-methylpropoxy)ethyl]oxetane
CID 57186025
3-Ethyl-3-[2-[2-[2-[2-[2-(3-ethyloxetan-3-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]oxetane
CID 59609295
3-[2-Butoxy-1-[2-butoxy-1-(3-ethyloxetan-3-yl)propoxy]propyl]-3-ethyloxetane
CID 66623211
3-ethyl-3-[[(2S,3R)-1,3,4-tris[(3-ethyloxetan-3-yl)methoxy]butan-2-yl]oxymethyl]oxetane
CID 67226369
3-Ethyl-2-[(3-ethyloxetan-3-yl)methoxymethyl]oxetane
CID 68649136
3-[2-Butoxy-1-[2-butoxy-1-(3-ethyloxetan-3-yl)ethoxy]ethyl]-3-ethyloxetane
CID 117689265
2-[2-[2,2-Bis(methoxymethyl)butoxymethyl]-2-(methoxymethyl)butoxy]-1-methoxy-3-(methoxymethyl)pentane
CID 117724489
(2S)-3-ethyl-2-[[(2S)-3-ethyloxetan-2-yl]methoxymethyl]oxetane
CID 117876176
[3-Ethyl-2-[2-[2-[2-[2-[[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxetan-3-yl]methanol
CID 139877797

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[[3-[(3-ethyloxetan-2-yl)methoxy]-2,2-bis[(3-ethyloxetan-2-yl)methoxymethyl]propoxy]methyl]oxetane?
The IUPAC name of 3-ethyl-2-[[3-[(3-ethyloxetan-2-yl)methoxy]-2,2-bis[(3-ethyloxetan-2-yl)methoxymethyl]propoxy]methyl]oxetane (CID 67226795) is 3-ethyl-2-[[3-[(3-ethyloxetan-2-yl)methoxy]-2,2-bis[(3-ethyloxetan-2-yl)methoxymethyl]propoxy]methyl]oxetane.
What is the SMILES notation for 3-ethyl-2-[[3-[(3-ethyloxetan-2-yl)methoxy]-2,2-bis[(3-ethyloxetan-2-yl)methoxymethyl]propoxy]methyl]oxetane?
The canonical SMILES for 3-ethyl-2-[[3-[(3-ethyloxetan-2-yl)methoxy]-2,2-bis[(3-ethyloxetan-2-yl)methoxymethyl]propoxy]methyl]oxetane is CCC1COC1COCC(COCC1OCC1CC)(COCC1OCC1CC)COCC1OCC1CC.
What is the InChIKey of 3-ethyl-2-[[3-[(3-ethyloxetan-2-yl)methoxy]-2,2-bis[(3-ethyloxetan-2-yl)methoxymethyl]propoxy]methyl]oxetane?
The InChIKey is DNICDFIXNOXAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H52O8/c1-5-21-9-34-25(21)13-30-17-29(18-31-14-26-22(6-2)10-35-26,19-32-15-27-23(7-3)11-36-27)20-33-16-28-24(8-4)12-37-28/h21-28H,5-20H2,1-4H3.
What are the key properties of 3-ethyl-2-[[3-[(3-ethyloxetan-2-yl)methoxy]-2,2-bis[(3-ethyloxetan-2-yl)methoxymethyl]propoxy]methyl]oxetane?
3-ethyl-2-[[3-[(3-ethyloxetan-2-yl)methoxy]-2,2-bis[(3-ethyloxetan-2-yl)methoxymethyl]propoxy]methyl]oxetane has a molecular weight of 528.73 g/mol, XLogP of 3.74, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[[3-[(3-ethyloxetan-2-yl)methoxy]-2,2-bis[(3-ethyloxetan-2-yl)methoxymethyl]propoxy]methyl]oxetane is sourced from PubChem (CID 67226795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).