4,4-dimethyloxane

C7H14O — CID 643055

IUPAC4,4-dimethyloxane
SMILESCC1(C)CCOCC1
InChIInChI=1S/C7H14O/c1-7(2)3-5-8-6-4-7/h3-6H2,1-2H3
InChIKeyGPBBNPPLBQIADY-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.82
Rot. Bonds

About 4,4-dimethyloxane

4,4-dimethyloxane (PubChem CID 643055) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 4,4-dimethyloxane.

Molecular Properties

Compound Name4,4-dimethyloxane
PubChem CID643055
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name4,4-dimethyloxane
SMILESCC1(C)CCOCC1
InChIInChI=1S/C7H14O/c1-7(2)3-5-8-6-4-7/h3-6H2,1-2H3
InChIKeyGPBBNPPLBQIADY-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 4,4-dimethyloxane?
The IUPAC name of 4,4-dimethyloxane (CID 643055) is 4,4-dimethyloxane.
What is the SMILES notation for 4,4-dimethyloxane?
The canonical SMILES for 4,4-dimethyloxane is CC1(C)CCOCC1.
What is the InChIKey of 4,4-dimethyloxane?
The InChIKey is GPBBNPPLBQIADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-7(2)3-5-8-6-4-7/h3-6H2,1-2H3.
What are the key properties of 4,4-dimethyloxane?
4,4-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 4,4-dimethyloxane is sourced from PubChem (CID 643055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).