(2S)-2,5-dimethyl-1,4-dioxane

C6H12O2 — CID 6712981

IUPAC(2S)-2,5-dimethyl-1,4-dioxane
SMILESCC1CO[C@@H](C)CO1
InChIInChI=1S/C6H12O2/c1-5-3-8-6(2)4-7-5/h5-6H,3-4H2,1-2H3/t5-,6?/m0/s1
InChIKeyAWBIJARKDOFDAN-ZBHICJROSA-N
MW116.16 g/mol
LogP0.81
Rot. Bonds

About (2S)-2,5-dimethyl-1,4-dioxane

(2S)-2,5-dimethyl-1,4-dioxane (PubChem CID 6712981) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (2S)-2,5-dimethyl-1,4-dioxane.

Molecular Properties

Compound Name(2S)-2,5-dimethyl-1,4-dioxane
PubChem CID6712981
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(2S)-2,5-dimethyl-1,4-dioxane
SMILESCC1CO[C@@H](C)CO1
InChIInChI=1S/C6H12O2/c1-5-3-8-6(2)4-7-5/h5-6H,3-4H2,1-2H3/t5-,6?/m0/s1
InChIKeyAWBIJARKDOFDAN-ZBHICJROSA-N
XLogP0.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-dimethyl-1,4-dioxane?
The IUPAC name of (2S)-2,5-dimethyl-1,4-dioxane (CID 6712981) is (2S)-2,5-dimethyl-1,4-dioxane.
What is the SMILES notation for (2S)-2,5-dimethyl-1,4-dioxane?
The canonical SMILES for (2S)-2,5-dimethyl-1,4-dioxane is CC1CO[C@@H](C)CO1.
What is the InChIKey of (2S)-2,5-dimethyl-1,4-dioxane?
The InChIKey is AWBIJARKDOFDAN-ZBHICJROSA-N. The full InChI is InChI=1S/C6H12O2/c1-5-3-8-6(2)4-7-5/h5-6H,3-4H2,1-2H3/t5-,6?/m0/s1.
What are the key properties of (2S)-2,5-dimethyl-1,4-dioxane?
(2S)-2,5-dimethyl-1,4-dioxane has a molecular weight of 116.16 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-dimethyl-1,4-dioxane is sourced from PubChem (CID 6712981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).