(3R)-2,3-dimethyl-1,4-dioxane

C6H12O2 — CID 134576356

IUPAC(3R)-2,3-dimethyl-1,4-dioxane
SMILESCC1OCCO[C@@H]1C
InChIInChI=1S/C6H12O2/c1-5-6(2)8-4-3-7-5/h5-6H,3-4H2,1-2H3/t5-,6?/m1/s1
InChIKeyKOWWPSSAXLGXIZ-LWOQYNTDSA-N
MW116.16 g/mol
LogP0.81
Rot. Bonds

About (3R)-2,3-dimethyl-1,4-dioxane

(3R)-2,3-dimethyl-1,4-dioxane (PubChem CID 134576356) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (3R)-2,3-dimethyl-1,4-dioxane.

Molecular Properties

Compound Name(3R)-2,3-dimethyl-1,4-dioxane
PubChem CID134576356
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(3R)-2,3-dimethyl-1,4-dioxane
SMILESCC1OCCO[C@@H]1C
InChIInChI=1S/C6H12O2/c1-5-6(2)8-4-3-7-5/h5-6H,3-4H2,1-2H3/t5-,6?/m1/s1
InChIKeyKOWWPSSAXLGXIZ-LWOQYNTDSA-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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Related Compounds

2,3-dimethyl-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 14814457
(4R,5S)-4,5-dimethyl-1,3-dioxolane
CID 13085378
2,3-dimethyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine
CID 544816
2-(3-methyloxiran-2-yl)-1,3-dioxolane
CID 119097855
3-(difluoromethyl)-2-methyloxolane
CID 171762048
(2R,3S)-3-chloro-2-methyloxolane
CID 13296748
(2S,3R)-2,3-dimethyloxane
CID 121479351
(3R)-2-methyloxolan-3-ol
CID 89032581
(2R,3R)-2,3-dimethyl-1,4-oxathiane
CID 13291412
trimethyl-[[(2R,3S)-3-methyl-1,4-dioxan-2-yl]methyl]azanium
CID 118723725
2-(2-fluoroethyl)-3-methyl-1,4-dioxane
CID 59741587
methanol;(2S,3R)-2,3,4-trimethyloxane
CID 145399685

Frequently Asked Questions

What is the IUPAC name of (3R)-2,3-dimethyl-1,4-dioxane?
The IUPAC name of (3R)-2,3-dimethyl-1,4-dioxane (CID 134576356) is (3R)-2,3-dimethyl-1,4-dioxane.
What is the SMILES notation for (3R)-2,3-dimethyl-1,4-dioxane?
The canonical SMILES for (3R)-2,3-dimethyl-1,4-dioxane is CC1OCCO[C@@H]1C.
What is the InChIKey of (3R)-2,3-dimethyl-1,4-dioxane?
The InChIKey is KOWWPSSAXLGXIZ-LWOQYNTDSA-N. The full InChI is InChI=1S/C6H12O2/c1-5-6(2)8-4-3-7-5/h5-6H,3-4H2,1-2H3/t5-,6?/m1/s1.
What are the key properties of (3R)-2,3-dimethyl-1,4-dioxane?
(3R)-2,3-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 (3R)-2,3-dimethyl-1,4-dioxane is sourced from PubChem (CID 134576356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).