2,5-dimethyl-1,3-dioxepine

C7H10O2 — CID 141230537

IUPAC2,5-dimethyl-1,3-dioxepine
SMILESCC1=COC(C)OC=C1
InChIInChI=1S/C7H10O2/c1-6-3-4-8-7(2)9-5-6/h3-5,7H,1-2H3
InChIKeyHWYFRAQWHSJCKT-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.80
Rot. Bonds

About 2,5-dimethyl-1,3-dioxepine

2,5-dimethyl-1,3-dioxepine (PubChem CID 141230537) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 2,5-dimethyl-1,3-dioxepine.

Molecular Properties

Compound Name2,5-dimethyl-1,3-dioxepine
PubChem CID141230537
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name2,5-dimethyl-1,3-dioxepine
SMILESCC1=COC(C)OC=C1
InChIInChI=1S/C7H10O2/c1-6-3-4-8-7(2)9-5-6/h3-5,7H,1-2H3
InChIKeyHWYFRAQWHSJCKT-UHFFFAOYSA-N
XLogP1.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,5-dimethyl-1,3-dioxepine 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

2,3,4-trimethyl-2H-pyran
CID 19800443
4-methyl-2-(2-phenylethynyl)-2H-pyran
CID 10821722
2,5-dimethyl-2H-pyran-3-ol
CID 173074242
2-cyclopropyl-3,4-dimethyl-2H-pyran
CID 174666821
2-methyl-1,3-dioxole-4-carbaldehyde
CID 141047298
2,2-ditert-butyl-4-methylpyran
CID 174850553
3,5-dimethyl-2H-pyran-2-carbonitrile
CID 70483439
(3-methyl-2H-oxet-2-yl)methanol
CID 176897020
1,6,7-trimethyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazin-8-ium
CID 58803416
formaldehyde;3-methyl-2H-pyran-2-amine
CID 174376714
(2S,3R)-2-cyclohexyl-3-methyl-2,3-dihydropyran-4-one
CID 10821644
4-bromo-2-methyl-4H-1,3-dioxine
CID 174842904

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3-dioxepine?
The IUPAC name of 2,5-dimethyl-1,3-dioxepine (CID 141230537) is 2,5-dimethyl-1,3-dioxepine.
What is the SMILES notation for 2,5-dimethyl-1,3-dioxepine?
The canonical SMILES for 2,5-dimethyl-1,3-dioxepine is CC1=COC(C)OC=C1.
What is the InChIKey of 2,5-dimethyl-1,3-dioxepine?
The InChIKey is HWYFRAQWHSJCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-6-3-4-8-7(2)9-5-6/h3-5,7H,1-2H3.
What are the key properties of 2,5-dimethyl-1,3-dioxepine?
2,5-dimethyl-1,3-dioxepine has a molecular weight of 126.15 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,3-dioxepine is sourced from PubChem (CID 141230537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).