3-ethyl-3-[(3-ethyloxetan-3-yl)-(2,3,5,6-tetramethyl-4-phenylphenoxy)methyl]oxetane

C27H36O3 — CID 141274782

IUPAC3-ethyl-3-[(3-ethyloxetan-3-yl)-(2,3,5,6-tetramethyl-4-phenylphenoxy)methyl]oxetane
SMILESCCC1(C(Oc2c(C)c(C)c(-c3ccccc3)c(C)c2C)C2(CC)COC2)COC1
InChIInChI=1S/C27H36O3/c1-7-26(14-28-15-26)25(27(8-2)16-29-17-27)30-24-20(5)18(3)23(19(4)21(24)6)22-12-10-9-11-13-22/h9-13,25H,7-8,14-17H2,1-6H3
InChIKeyUHZFKMKCCPXBOI-UHFFFAOYSA-N
MW408.58 g/mol
LogP6.19
Rot. Bonds7

About 3-ethyl-3-[(3-ethyloxetan-3-yl)-(2,3,5,6-tetramethyl-4-phenylphenoxy)methyl]oxetane

3-ethyl-3-[(3-ethyloxetan-3-yl)-(2,3,5,6-tetramethyl-4-phenylphenoxy)methyl]oxetane (PubChem CID 141274782) has the molecular formula C27H36O3 and a molecular weight of 408.58 g/mol. Its IUPAC name is 3-ethyl-3-[(3-ethyloxetan-3-yl)-(2,3,5,6-tetramethyl-4-phenylphenoxy)methyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[(3-ethyloxetan-3-yl)-(2,3,5,6-tetramethyl-4-phenylphenoxy)methyl]oxetane
PubChem CID141274782
Molecular FormulaC27H36O3
Molecular Weight408.58 g/mol
Exact Mass408.27
IUPAC Name3-ethyl-3-[(3-ethyloxetan-3-yl)-(2,3,5,6-tetramethyl-4-phenylphenoxy)methyl]oxetane
SMILESCCC1(C(Oc2c(C)c(C)c(-c3ccccc3)c(C)c2C)C2(CC)COC2)COC1
InChIInChI=1S/C27H36O3/c1-7-26(14-28-15-26)25(27(8-2)16-29-17-27)30-24-20(5)18(3)23(19(4)21(24)6)22-12-10-9-11-13-22/h9-13,25H,7-8,14-17H2,1-6H3
InChIKeyUHZFKMKCCPXBOI-UHFFFAOYSA-N
XLogP6.19
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.58
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[(3-ethyloxetan-3-yl)-(2,3,5,6-tetramethyl-4-phenylphenoxy)methyl]oxetane?
The IUPAC name of 3-ethyl-3-[(3-ethyloxetan-3-yl)-(2,3,5,6-tetramethyl-4-phenylphenoxy)methyl]oxetane (CID 141274782) is 3-ethyl-3-[(3-ethyloxetan-3-yl)-(2,3,5,6-tetramethyl-4-phenylphenoxy)methyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[(3-ethyloxetan-3-yl)-(2,3,5,6-tetramethyl-4-phenylphenoxy)methyl]oxetane?
The canonical SMILES for 3-ethyl-3-[(3-ethyloxetan-3-yl)-(2,3,5,6-tetramethyl-4-phenylphenoxy)methyl]oxetane is CCC1(C(Oc2c(C)c(C)c(-c3ccccc3)c(C)c2C)C2(CC)COC2)COC1.
What is the InChIKey of 3-ethyl-3-[(3-ethyloxetan-3-yl)-(2,3,5,6-tetramethyl-4-phenylphenoxy)methyl]oxetane?
The InChIKey is UHZFKMKCCPXBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36O3/c1-7-26(14-28-15-26)25(27(8-2)16-29-17-27)30-24-20(5)18(3)23(19(4)21(24)6)22-12-10-9-11-13-22/h9-13,25H,7-8,14-17H2,1-6H3.
What are the key properties of 3-ethyl-3-[(3-ethyloxetan-3-yl)-(2,3,5,6-tetramethyl-4-phenylphenoxy)methyl]oxetane?
3-ethyl-3-[(3-ethyloxetan-3-yl)-(2,3,5,6-tetramethyl-4-phenylphenoxy)methyl]oxetane has a molecular weight of 408.58 g/mol, XLogP of 6.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[(3-ethyloxetan-3-yl)-(2,3,5,6-tetramethyl-4-phenylphenoxy)methyl]oxetane is sourced from PubChem (CID 141274782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).