6,6-dimethyl-3-methylidene-1,4,2-dioxazepane

C7H13NO2 — CID 123904358

IUPAC6,6-dimethyl-3-methylidene-1,4,2-dioxazepane
SMILESC=C1NOCC(C)(C)CO1
InChIInChI=1S/C7H13NO2/c1-6-8-10-5-7(2,3)4-9-6/h8H,1,4-5H2,2-3H3
InChIKeyUHCGSBRAJZVVSY-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.04
Rot. Bonds

About 6,6-dimethyl-3-methylidene-1,4,2-dioxazepane

6,6-dimethyl-3-methylidene-1,4,2-dioxazepane (PubChem CID 123904358) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 6,6-dimethyl-3-methylidene-1,4,2-dioxazepane.

Molecular Properties

Compound Name6,6-dimethyl-3-methylidene-1,4,2-dioxazepane
PubChem CID123904358
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name6,6-dimethyl-3-methylidene-1,4,2-dioxazepane
SMILESC=C1NOCC(C)(C)CO1
InChIInChI=1S/C7H13NO2/c1-6-8-10-5-7(2,3)4-9-6/h8H,1,4-5H2,2-3H3
InChIKeyUHCGSBRAJZVVSY-UHFFFAOYSA-N
XLogP1.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-bis(ethenyl)-6,6-dimethyl-5,7-dihydro-1,4-dioxepine
CID 156792165
3-(5,5-dimethyl-1,3-dioxan-2-ylidene)-2-methylpropanal
CID 91609603
7,7-dimethyl-1,3,5-trioxocane-2,4-dione
CID 88770359
3,3,12,12-tetramethyl-1,5,10,14-tetraoxacyclooctadecane-6,9,15,18-tetrone
CID 604363
2-cyclopropylidene-5,5-dimethyl-1,3-dioxane
CID 11008141
3,3-dimethyl-6,8-di(propan-2-yl)-2,4-dihydrothieno[3,4-b][1,4]dioxepine
CID 129037951
3,3-dimethyl-1,5-dioxacyclohexadecane-6,16-dione
CID 70605767
6,6-dimethyl-1,4-dioxepan-2-one
CID 10219498
3,3,6-trimethyl-2,4-dihydro-1,5-benzodioxepine
CID 156791936
2-methyl-N-[(4-methyl-2-methylidene-1,3-oxazolidin-4-yl)methyl]propan-1-amine
CID 160761935
6,6-dimethyl-1,4-oxazepane-2,3-dione
CID 143776070
3-hydroxy-5,5-dimethyloxan-2-one
CID 70489948

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-methylidene-1,4,2-dioxazepane?
The IUPAC name of 6,6-dimethyl-3-methylidene-1,4,2-dioxazepane (CID 123904358) is 6,6-dimethyl-3-methylidene-1,4,2-dioxazepane.
What is the SMILES notation for 6,6-dimethyl-3-methylidene-1,4,2-dioxazepane?
The canonical SMILES for 6,6-dimethyl-3-methylidene-1,4,2-dioxazepane is C=C1NOCC(C)(C)CO1.
What is the InChIKey of 6,6-dimethyl-3-methylidene-1,4,2-dioxazepane?
The InChIKey is UHCGSBRAJZVVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6-8-10-5-7(2,3)4-9-6/h8H,1,4-5H2,2-3H3.
What are the key properties of 6,6-dimethyl-3-methylidene-1,4,2-dioxazepane?
6,6-dimethyl-3-methylidene-1,4,2-dioxazepane has a molecular weight of 143.19 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-methylidene-1,4,2-dioxazepane is sourced from PubChem (CID 123904358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).