3,3-dimethyloxane

C7H14O — CID 14671580

IUPAC3,3-dimethyloxane
SMILESCC1(C)CCCOC1
InChIInChI=1S/C7H14O/c1-7(2)4-3-5-8-6-7/h3-6H2,1-2H3
InChIKeyJGIIAGKXWSQLOG-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.82
Rot. Bonds

About 3,3-dimethyloxane

3,3-dimethyloxane (PubChem CID 14671580) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 3,3-dimethyloxane.

Molecular Properties

Compound Name3,3-dimethyloxane
PubChem CID14671580
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name3,3-dimethyloxane
SMILESCC1(C)CCCOC1
InChIInChI=1S/C7H14O/c1-7(2)4-3-5-8-6-7/h3-6H2,1-2H3
InChIKeyJGIIAGKXWSQLOG-UHFFFAOYSA-N
XLogP1.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyloxane?
The IUPAC name of 3,3-dimethyloxane (CID 14671580) is 3,3-dimethyloxane.
What is the SMILES notation for 3,3-dimethyloxane?
The canonical SMILES for 3,3-dimethyloxane is CC1(C)CCCOC1.
What is the InChIKey of 3,3-dimethyloxane?
The InChIKey is JGIIAGKXWSQLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-7(2)4-3-5-8-6-7/h3-6H2,1-2H3.
What are the key properties of 3,3-dimethyloxane?
3,3-dimethyloxane has a molecular weight of 114.19 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyloxane is sourced from PubChem (CID 14671580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).