3-ethyl-3-[[7-[(3-ethyloxetan-3-yl)methoxy]naphthalen-2-yl]oxymethyl]oxetane;3-[[7-(oxetan-3-ylmethoxy)naphthalen-2-yl]oxymethyl]oxetane

C40H48O8 — CID 158020153

IUPAC3-ethyl-3-[[7-[(3-ethyloxetan-3-yl)methoxy]naphthalen-2-yl]oxymethyl]oxetane;3-[[7-(oxetan-3-ylmethoxy)naphthalen-2-yl]oxymethyl]oxetane
SMILESCCC1(COc2ccc3ccc(OCC4(CC)COC4)cc3c2)COC1.c1cc2ccc(OCC3COC3)cc2cc1OCC1COC1
InChIInChI=1S/C22H28O4.C18H20O4/c1-3-21(11-23-12-21)15-25-19-7-5-17-6-8-20(10-18(17)9-19)26-16-22(4-2)13-24-14-22;1-3-17(21-11-13-7-19-8-13)5-16-6-18(4-2-15(1)16)22-12-14-9-20-10-14/h5-10H,3-4,11-16H2,1-2H3;1-6,13-14H,7-12H2
InChIKeyFFYQFNCUZQXHDS-UHFFFAOYSA-N
MW656.82 g/mol
LogP7.34
Rot. Bonds14

About 3-ethyl-3-[[7-[(3-ethyloxetan-3-yl)methoxy]naphthalen-2-yl]oxymethyl]oxetane;3-[[7-(oxetan-3-ylmethoxy)naphthalen-2-yl]oxymethyl]oxetane

3-ethyl-3-[[7-[(3-ethyloxetan-3-yl)methoxy]naphthalen-2-yl]oxymethyl]oxetane;3-[[7-(oxetan-3-ylmethoxy)naphthalen-2-yl]oxymethyl]oxetane (PubChem CID 158020153) has the molecular formula C40H48O8 and a molecular weight of 656.82 g/mol. Its IUPAC name is 3-ethyl-3-[[7-[(3-ethyloxetan-3-yl)methoxy]naphthalen-2-yl]oxymethyl]oxetane;3-[[7-(oxetan-3-ylmethoxy)naphthalen-2-yl]oxymethyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[[7-[(3-ethyloxetan-3-yl)methoxy]naphthalen-2-yl]oxymethyl]oxetane;3-[[7-(oxetan-3-ylmethoxy)naphthalen-2-yl]oxymethyl]oxetane
PubChem CID158020153
Molecular FormulaC40H48O8
Molecular Weight656.82 g/mol
Exact Mass656.33
IUPAC Name3-ethyl-3-[[7-[(3-ethyloxetan-3-yl)methoxy]naphthalen-2-yl]oxymethyl]oxetane;3-[[7-(oxetan-3-ylmethoxy)naphthalen-2-yl]oxymethyl]oxetane
SMILESCCC1(COc2ccc3ccc(OCC4(CC)COC4)cc3c2)COC1.c1cc2ccc(OCC3COC3)cc2cc1OCC1COC1
InChIInChI=1S/C22H28O4.C18H20O4/c1-3-21(11-23-12-21)15-25-19-7-5-17-6-8-20(10-18(17)9-19)26-16-22(4-2)13-24-14-22;1-3-17(21-11-13-7-19-8-13)5-16-6-18(4-2-15(1)16)22-12-14-9-20-10-14/h5-10H,3-4,11-16H2,1-2H3;1-6,13-14H,7-12H2
InChIKeyFFYQFNCUZQXHDS-UHFFFAOYSA-N
XLogP7.34
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.82
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[[7-[(3-ethyloxetan-3-yl)methoxy]naphthalen-2-yl]oxymethyl]oxetane;3-[[7-(oxetan-3-ylmethoxy)naphthalen-2-yl]oxymethyl]oxetane?
The IUPAC name of 3-ethyl-3-[[7-[(3-ethyloxetan-3-yl)methoxy]naphthalen-2-yl]oxymethyl]oxetane;3-[[7-(oxetan-3-ylmethoxy)naphthalen-2-yl]oxymethyl]oxetane (CID 158020153) is 3-ethyl-3-[[7-[(3-ethyloxetan-3-yl)methoxy]naphthalen-2-yl]oxymethyl]oxetane;3-[[7-(oxetan-3-ylmethoxy)naphthalen-2-yl]oxymethyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[[7-[(3-ethyloxetan-3-yl)methoxy]naphthalen-2-yl]oxymethyl]oxetane;3-[[7-(oxetan-3-ylmethoxy)naphthalen-2-yl]oxymethyl]oxetane?
The canonical SMILES for 3-ethyl-3-[[7-[(3-ethyloxetan-3-yl)methoxy]naphthalen-2-yl]oxymethyl]oxetane;3-[[7-(oxetan-3-ylmethoxy)naphthalen-2-yl]oxymethyl]oxetane is CCC1(COc2ccc3ccc(OCC4(CC)COC4)cc3c2)COC1.c1cc2ccc(OCC3COC3)cc2cc1OCC1COC1.
What is the InChIKey of 3-ethyl-3-[[7-[(3-ethyloxetan-3-yl)methoxy]naphthalen-2-yl]oxymethyl]oxetane;3-[[7-(oxetan-3-ylmethoxy)naphthalen-2-yl]oxymethyl]oxetane?
The InChIKey is FFYQFNCUZQXHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O4.C18H20O4/c1-3-21(11-23-12-21)15-25-19-7-5-17-6-8-20(10-18(17)9-19)26-16-22(4-2)13-24-14-22;1-3-17(21-11-13-7-19-8-13)5-16-6-18(4-2-15(1)16)22-12-14-9-20-10-14/h5-10H,3-4,11-16H2,1-2H3;1-6,13-14H,7-12H2.
What are the key properties of 3-ethyl-3-[[7-[(3-ethyloxetan-3-yl)methoxy]naphthalen-2-yl]oxymethyl]oxetane;3-[[7-(oxetan-3-ylmethoxy)naphthalen-2-yl]oxymethyl]oxetane?
3-ethyl-3-[[7-[(3-ethyloxetan-3-yl)methoxy]naphthalen-2-yl]oxymethyl]oxetane;3-[[7-(oxetan-3-ylmethoxy)naphthalen-2-yl]oxymethyl]oxetane has a molecular weight of 656.82 g/mol, XLogP of 7.34, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[[7-[(3-ethyloxetan-3-yl)methoxy]naphthalen-2-yl]oxymethyl]oxetane;3-[[7-(oxetan-3-ylmethoxy)naphthalen-2-yl]oxymethyl]oxetane is sourced from PubChem (CID 158020153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).