3-ethyl-3-[1-[4-[4-[1-[(3-ethyloxetan-3-yl)methoxy]ethyl]phenoxy]phenyl]ethoxymethyl]oxetane

C28H38O5 — CID 69021792

IUPAC3-ethyl-3-[1-[4-[4-[1-[(3-ethyloxetan-3-yl)methoxy]ethyl]phenoxy]phenyl]ethoxymethyl]oxetane
SMILESCCC1(COC(C)c2ccc(Oc3ccc(C(C)OCC4(CC)COC4)cc3)cc2)COC1
InChIInChI=1S/C28H38O5/c1-5-27(15-29-16-27)19-31-21(3)23-7-11-25(12-8-23)33-26-13-9-24(10-14-26)22(4)32-20-28(6-2)17-30-18-28/h7-14,21-22H,5-6,15-20H2,1-4H3
InChIKeyPNVLSCLOLHEDMX-UHFFFAOYSA-N
MW454.61 g/mol
LogP6.49
Rot. Bonds12

About 3-ethyl-3-[1-[4-[4-[1-[(3-ethyloxetan-3-yl)methoxy]ethyl]phenoxy]phenyl]ethoxymethyl]oxetane

3-ethyl-3-[1-[4-[4-[1-[(3-ethyloxetan-3-yl)methoxy]ethyl]phenoxy]phenyl]ethoxymethyl]oxetane (PubChem CID 69021792) has the molecular formula C28H38O5 and a molecular weight of 454.61 g/mol. Its IUPAC name is 3-ethyl-3-[1-[4-[4-[1-[(3-ethyloxetan-3-yl)methoxy]ethyl]phenoxy]phenyl]ethoxymethyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[1-[4-[4-[1-[(3-ethyloxetan-3-yl)methoxy]ethyl]phenoxy]phenyl]ethoxymethyl]oxetane
PubChem CID69021792
Molecular FormulaC28H38O5
Molecular Weight454.61 g/mol
Exact Mass454.27
IUPAC Name3-ethyl-3-[1-[4-[4-[1-[(3-ethyloxetan-3-yl)methoxy]ethyl]phenoxy]phenyl]ethoxymethyl]oxetane
SMILESCCC1(COC(C)c2ccc(Oc3ccc(C(C)OCC4(CC)COC4)cc3)cc2)COC1
InChIInChI=1S/C28H38O5/c1-5-27(15-29-16-27)19-31-21(3)23-7-11-25(12-8-23)33-26-13-9-24(10-14-26)22(4)32-20-28(6-2)17-30-18-28/h7-14,21-22H,5-6,15-20H2,1-4H3
InChIKeyPNVLSCLOLHEDMX-UHFFFAOYSA-N
XLogP6.49
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.61
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-3-[1-[4-[4-[1-[(3-ethyloxetan-3-yl)methoxy]ethyl]phenoxy]phenyl]ethoxymethyl]oxetane with MolForge

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Related Compounds

3-[1-[(3-ethyloxetan-3-yl)methoxy]ethyl]phenol
CID 68631310
3-ethyl-3-[[4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenoxy]methyl]oxetane
CID 59687541
3-ethyl-3-[4-[4-(2,2,5-trimethylhexan-3-yl)phenyl]butoxymethyl]oxetane
CID 123246352
[4-[4-[2-[(3-ethyloxetan-3-yl)methoxy]butyl]phenyl]phenyl]methanol
CID 147383497
3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]phenyl]methyl]oxetane
CID 139997866
3-ethyl-3-[(3-methylphenoxy)methyl]oxetane
CID 70976864
3-ethyl-3-(phenylmethoxymethyl)oxetane
CID 22066200
2-[1-(4-phenoxyphenyl)ethoxy]ethanamine
CID 112512699
1-[(1S)-1-butoxyethyl]-4-methoxybenzene
CID 102525034
3-ethyl-3-[[2-[2-[(3-ethyloxetan-3-yl)methoxy]-2-iodoethoxy]-1-iodoethoxy]methyl]oxetane
CID 89152081
1-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]pyrrole-2,5-dione
CID 71423852
3-[(3-bromophenoxy)methyl]-3-ethyloxetane
CID 84712954

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[1-[4-[4-[1-[(3-ethyloxetan-3-yl)methoxy]ethyl]phenoxy]phenyl]ethoxymethyl]oxetane?
The IUPAC name of 3-ethyl-3-[1-[4-[4-[1-[(3-ethyloxetan-3-yl)methoxy]ethyl]phenoxy]phenyl]ethoxymethyl]oxetane (CID 69021792) is 3-ethyl-3-[1-[4-[4-[1-[(3-ethyloxetan-3-yl)methoxy]ethyl]phenoxy]phenyl]ethoxymethyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[1-[4-[4-[1-[(3-ethyloxetan-3-yl)methoxy]ethyl]phenoxy]phenyl]ethoxymethyl]oxetane?
The canonical SMILES for 3-ethyl-3-[1-[4-[4-[1-[(3-ethyloxetan-3-yl)methoxy]ethyl]phenoxy]phenyl]ethoxymethyl]oxetane is CCC1(COC(C)c2ccc(Oc3ccc(C(C)OCC4(CC)COC4)cc3)cc2)COC1.
What is the InChIKey of 3-ethyl-3-[1-[4-[4-[1-[(3-ethyloxetan-3-yl)methoxy]ethyl]phenoxy]phenyl]ethoxymethyl]oxetane?
The InChIKey is PNVLSCLOLHEDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38O5/c1-5-27(15-29-16-27)19-31-21(3)23-7-11-25(12-8-23)33-26-13-9-24(10-14-26)22(4)32-20-28(6-2)17-30-18-28/h7-14,21-22H,5-6,15-20H2,1-4H3.
What are the key properties of 3-ethyl-3-[1-[4-[4-[1-[(3-ethyloxetan-3-yl)methoxy]ethyl]phenoxy]phenyl]ethoxymethyl]oxetane?
3-ethyl-3-[1-[4-[4-[1-[(3-ethyloxetan-3-yl)methoxy]ethyl]phenoxy]phenyl]ethoxymethyl]oxetane has a molecular weight of 454.61 g/mol, XLogP of 6.49, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[1-[4-[4-[1-[(3-ethyloxetan-3-yl)methoxy]ethyl]phenoxy]phenyl]ethoxymethyl]oxetane is sourced from PubChem (CID 69021792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).