3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]phenyl]methyl]oxetane

C18H26O2 — CID 139997866

IUPAC3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]phenyl]methyl]oxetane
SMILESCCC1(Cc2ccc(CC3(CC)COC3)cc2)COC1
InChIInChI=1S/C18H26O2/c1-3-17(11-19-12-17)9-15-5-7-16(8-6-15)10-18(4-2)13-20-14-18/h5-8H,3-4,9-14H2,1-2H3
InChIKeyKVOZSOVAQHVBDW-UHFFFAOYSA-N
MW274.40 g/mol
LogP3.62
Rot. Bonds6

About 3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]phenyl]methyl]oxetane

3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]phenyl]methyl]oxetane (PubChem CID 139997866) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]phenyl]methyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]phenyl]methyl]oxetane
PubChem CID139997866
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]phenyl]methyl]oxetane
SMILESCCC1(Cc2ccc(CC3(CC)COC3)cc2)COC1
InChIInChI=1S/C18H26O2/c1-3-17(11-19-12-17)9-15-5-7-16(8-6-15)10-18(4-2)13-20-14-18/h5-8H,3-4,9-14H2,1-2H3
InChIKeyKVOZSOVAQHVBDW-UHFFFAOYSA-N
XLogP3.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]phenyl]methyl]oxetane?
The IUPAC name of 3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]phenyl]methyl]oxetane (CID 139997866) is 3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]phenyl]methyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]phenyl]methyl]oxetane?
The canonical SMILES for 3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]phenyl]methyl]oxetane is CCC1(Cc2ccc(CC3(CC)COC3)cc2)COC1.
What is the InChIKey of 3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]phenyl]methyl]oxetane?
The InChIKey is KVOZSOVAQHVBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-3-17(11-19-12-17)9-15-5-7-16(8-6-15)10-18(4-2)13-20-14-18/h5-8H,3-4,9-14H2,1-2H3.
What are the key properties of 3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]phenyl]methyl]oxetane?
3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]phenyl]methyl]oxetane has a molecular weight of 274.40 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]phenyl]methyl]oxetane is sourced from PubChem (CID 139997866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).