6,6-dimethyl-5,7-dihydro-1,4-dioxepine

C7H12O2 — CID 14597946

IUPAC6,6-dimethyl-5,7-dihydro-1,4-dioxepine
SMILESCC1(C)COC=COC1
InChIInChI=1S/C7H12O2/c1-7(2)5-8-3-4-9-6-7/h3-4H,5-6H2,1-2H3
InChIKeyVXTOGBDRCNKMCC-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.53
Rot. Bonds

About 6,6-dimethyl-5,7-dihydro-1,4-dioxepine

6,6-dimethyl-5,7-dihydro-1,4-dioxepine (PubChem CID 14597946) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 6,6-dimethyl-5,7-dihydro-1,4-dioxepine.

Molecular Properties

Compound Name6,6-dimethyl-5,7-dihydro-1,4-dioxepine
PubChem CID14597946
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name6,6-dimethyl-5,7-dihydro-1,4-dioxepine
SMILESCC1(C)COC=COC1
InChIInChI=1S/C7H12O2/c1-7(2)5-8-3-4-9-6-7/h3-4H,5-6H2,1-2H3
InChIKeyVXTOGBDRCNKMCC-UHFFFAOYSA-N
XLogP1.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-5,7-dihydro-1,4-dioxepine?
The IUPAC name of 6,6-dimethyl-5,7-dihydro-1,4-dioxepine (CID 14597946) is 6,6-dimethyl-5,7-dihydro-1,4-dioxepine.
What is the SMILES notation for 6,6-dimethyl-5,7-dihydro-1,4-dioxepine?
The canonical SMILES for 6,6-dimethyl-5,7-dihydro-1,4-dioxepine is CC1(C)COC=COC1.
What is the InChIKey of 6,6-dimethyl-5,7-dihydro-1,4-dioxepine?
The InChIKey is VXTOGBDRCNKMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-7(2)5-8-3-4-9-6-7/h3-4H,5-6H2,1-2H3.
What are the key properties of 6,6-dimethyl-5,7-dihydro-1,4-dioxepine?
6,6-dimethyl-5,7-dihydro-1,4-dioxepine has a molecular weight of 128.17 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-5,7-dihydro-1,4-dioxepine is sourced from PubChem (CID 14597946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).