6-ethyl-3-methyl-3-phenyl-1,2,4,5-tetraoxane

C11H14O4 — CID 52920785

IUPAC6-ethyl-3-methyl-3-phenyl-1,2,4,5-tetraoxane
SMILESCCC1OOC(C)(c2ccccc2)OO1
InChIInChI=1S/C11H14O4/c1-3-10-12-14-11(2,15-13-10)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3
InChIKeyWDHQHNMQZNLROE-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.51
Rot. Bonds2

About 6-ethyl-3-methyl-3-phenyl-1,2,4,5-tetraoxane

6-ethyl-3-methyl-3-phenyl-1,2,4,5-tetraoxane (PubChem CID 52920785) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 6-ethyl-3-methyl-3-phenyl-1,2,4,5-tetraoxane.

Molecular Properties

Compound Name6-ethyl-3-methyl-3-phenyl-1,2,4,5-tetraoxane
PubChem CID52920785
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name6-ethyl-3-methyl-3-phenyl-1,2,4,5-tetraoxane
SMILESCCC1OOC(C)(c2ccccc2)OO1
InChIInChI=1S/C11H14O4/c1-3-10-12-14-11(2,15-13-10)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3
InChIKeyWDHQHNMQZNLROE-UHFFFAOYSA-N
XLogP2.51
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 6-ethyl-3-methyl-3-phenyl-1,2,4,5-tetraoxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,4R)-1,4-diphenyl-2,3-dioxabicyclo[2.2.1]hept-5-ene
CID 11831839
(3R,5S)-3-methyl-3,5-diphenyldioxolane
CID 12643785
3,6-dimethyl-3,6-diphenylcyclohexa-1,4-diene
CID 618605
(5R)-5-(hydroxymethyl)-2-methyl-2-phenyloxolane-3,4-diol
CID 70798995
(1S,9S)-8-ethyl-9-phenyl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 134938097
(2R,3R)-2-methyl-2-phenyl-3-propyloxirane
CID 15441965
2,5-dimethyl-2-phenyl-1,3-dioxolan-4-one
CID 14546285
3-ethyl-3,4-dimethyl-2,2-diphenyloxetane
CID 165355883
zinc;ethane;[(1R,2S)-2-ethyl-1-methylcyclopropyl]benzene
CID 134861633
5-ethyl-2,2-diphenyloxolane
CID 102273075
4-ethyl-2,2-diphenyl-1,3-dioxolane
CID 123665979
3-(2-butoxyethoxy)-3-phenyldioxirane
CID 174256197

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-3-phenyl-1,2,4,5-tetraoxane?
The IUPAC name of 6-ethyl-3-methyl-3-phenyl-1,2,4,5-tetraoxane (CID 52920785) is 6-ethyl-3-methyl-3-phenyl-1,2,4,5-tetraoxane.
What is the SMILES notation for 6-ethyl-3-methyl-3-phenyl-1,2,4,5-tetraoxane?
The canonical SMILES for 6-ethyl-3-methyl-3-phenyl-1,2,4,5-tetraoxane is CCC1OOC(C)(c2ccccc2)OO1.
What is the InChIKey of 6-ethyl-3-methyl-3-phenyl-1,2,4,5-tetraoxane?
The InChIKey is WDHQHNMQZNLROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-3-10-12-14-11(2,15-13-10)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3.
What are the key properties of 6-ethyl-3-methyl-3-phenyl-1,2,4,5-tetraoxane?
6-ethyl-3-methyl-3-phenyl-1,2,4,5-tetraoxane has a molecular weight of 210.23 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-3-phenyl-1,2,4,5-tetraoxane is sourced from PubChem (CID 52920785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).