7,7-dimethyl-1,3,5-trioxocane

C7H14O3 — CID 145482974

IUPAC7,7-dimethyl-1,3,5-trioxocane
SMILESCC1(C)COCOCOC1
InChIInChI=1S/C7H14O3/c1-7(2)3-8-5-10-6-9-4-7/h3-6H2,1-2H3
InChIKeyKQMXDQWUFOZPMA-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.99
Rot. Bonds

About 7,7-dimethyl-1,3,5-trioxocane

7,7-dimethyl-1,3,5-trioxocane (PubChem CID 145482974) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 7,7-dimethyl-1,3,5-trioxocane.

Molecular Properties

Compound Name7,7-dimethyl-1,3,5-trioxocane
PubChem CID145482974
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name7,7-dimethyl-1,3,5-trioxocane
SMILESCC1(C)COCOCOC1
InChIInChI=1S/C7H14O3/c1-7(2)3-8-5-10-6-9-4-7/h3-6H2,1-2H3
InChIKeyKQMXDQWUFOZPMA-UHFFFAOYSA-N
XLogP0.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1,5,8,10-tetraoxaspiro[5.5]undecane
CID 89099466
10,10-dimethyl-1,4,8,12-tetraoxacyclopentadecane-6,14-diol
CID 15474960
5-methyl-5-[(5-methyl-1,3-dioxan-5-yl)methoxymethyl]-1,3-dioxane
CID 130368124
zinc bis(N-(5-methyl-1,3-dioxan-5-yl)carbamodithioate)
CID 134122883
6,6-dimethyl-1,4-dioxepan-2-one
CID 10219498
5-cyclohexyl-5-methyl-1,3-dioxane
CID 70232095
5,5,6,6,7,7-hexafluoro-1,3-dioxocane
CID 548452
2,5,5-trimethyl-1,3-dioxan-2-ol
CID 71420298
2,5,5,8,11,11-hexamethyl-1,3,7,9-tetraoxa-2,8-diphosphacyclododecane
CID 23420038
3,3-dimethyl-oxacyclotetradecane
CID 15424844
13-methyl-13-phenyl-2,4,9,11-tetraoxadispiro[5.0.57.16]tridecane
CID 102474294
5,5-dibutyl-1,3-dioxane
CID 139570230

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1,3,5-trioxocane?
The IUPAC name of 7,7-dimethyl-1,3,5-trioxocane (CID 145482974) is 7,7-dimethyl-1,3,5-trioxocane.
What is the SMILES notation for 7,7-dimethyl-1,3,5-trioxocane?
The canonical SMILES for 7,7-dimethyl-1,3,5-trioxocane is CC1(C)COCOCOC1.
What is the InChIKey of 7,7-dimethyl-1,3,5-trioxocane?
The InChIKey is KQMXDQWUFOZPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-7(2)3-8-5-10-6-9-4-7/h3-6H2,1-2H3.
What are the key properties of 7,7-dimethyl-1,3,5-trioxocane?
7,7-dimethyl-1,3,5-trioxocane has a molecular weight of 146.19 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1,3,5-trioxocane is sourced from PubChem (CID 145482974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).