3-[[4-tert-butyl-2-[(3-ethyloxetan-3-yl)methoxy]phenoxy]methyl]-3-ethyloxetane

C22H34O4 — CID 139899126

IUPAC3-[[4-tert-butyl-2-[(3-ethyloxetan-3-yl)methoxy]phenoxy]methyl]-3-ethyloxetane
SMILESCCC1(COc2ccc(C(C)(C)C)cc2OCC2(CC)COC2)COC1
InChIInChI=1S/C22H34O4/c1-6-21(11-23-12-21)15-25-18-9-8-17(20(3,4)5)10-19(18)26-16-22(7-2)13-24-14-22/h8-10H,6-7,11-16H2,1-5H3
InChIKeyIHICLXQUJVJCAN-UHFFFAOYSA-N
MW362.51 g/mol
LogP4.59
Rot. Bonds8

About 3-[[4-tert-butyl-2-[(3-ethyloxetan-3-yl)methoxy]phenoxy]methyl]-3-ethyloxetane

3-[[4-tert-butyl-2-[(3-ethyloxetan-3-yl)methoxy]phenoxy]methyl]-3-ethyloxetane (PubChem CID 139899126) has the molecular formula C22H34O4 and a molecular weight of 362.51 g/mol. Its IUPAC name is 3-[[4-tert-butyl-2-[(3-ethyloxetan-3-yl)methoxy]phenoxy]methyl]-3-ethyloxetane.

Molecular Properties

Compound Name3-[[4-tert-butyl-2-[(3-ethyloxetan-3-yl)methoxy]phenoxy]methyl]-3-ethyloxetane
PubChem CID139899126
Molecular FormulaC22H34O4
Molecular Weight362.51 g/mol
Exact Mass362.25
IUPAC Name3-[[4-tert-butyl-2-[(3-ethyloxetan-3-yl)methoxy]phenoxy]methyl]-3-ethyloxetane
SMILESCCC1(COc2ccc(C(C)(C)C)cc2OCC2(CC)COC2)COC1
InChIInChI=1S/C22H34O4/c1-6-21(11-23-12-21)15-25-18-9-8-17(20(3,4)5)10-19(18)26-16-22(7-2)13-24-14-22/h8-10H,6-7,11-16H2,1-5H3
InChIKeyIHICLXQUJVJCAN-UHFFFAOYSA-N
XLogP4.59
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-tert-butyl-2-[(3-ethyloxetan-3-yl)methoxy]phenoxy]methyl]-3-ethyloxetane?
The IUPAC name of 3-[[4-tert-butyl-2-[(3-ethyloxetan-3-yl)methoxy]phenoxy]methyl]-3-ethyloxetane (CID 139899126) is 3-[[4-tert-butyl-2-[(3-ethyloxetan-3-yl)methoxy]phenoxy]methyl]-3-ethyloxetane.
What is the SMILES notation for 3-[[4-tert-butyl-2-[(3-ethyloxetan-3-yl)methoxy]phenoxy]methyl]-3-ethyloxetane?
The canonical SMILES for 3-[[4-tert-butyl-2-[(3-ethyloxetan-3-yl)methoxy]phenoxy]methyl]-3-ethyloxetane is CCC1(COc2ccc(C(C)(C)C)cc2OCC2(CC)COC2)COC1.
What is the InChIKey of 3-[[4-tert-butyl-2-[(3-ethyloxetan-3-yl)methoxy]phenoxy]methyl]-3-ethyloxetane?
The InChIKey is IHICLXQUJVJCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O4/c1-6-21(11-23-12-21)15-25-18-9-8-17(20(3,4)5)10-19(18)26-16-22(7-2)13-24-14-22/h8-10H,6-7,11-16H2,1-5H3.
What are the key properties of 3-[[4-tert-butyl-2-[(3-ethyloxetan-3-yl)methoxy]phenoxy]methyl]-3-ethyloxetane?
3-[[4-tert-butyl-2-[(3-ethyloxetan-3-yl)methoxy]phenoxy]methyl]-3-ethyloxetane has a molecular weight of 362.51 g/mol, XLogP of 4.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-tert-butyl-2-[(3-ethyloxetan-3-yl)methoxy]phenoxy]methyl]-3-ethyloxetane is sourced from PubChem (CID 139899126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).