3-(2,5-dimethyloxan-3-yl)-2,5-dimethyl-1,4-dioxane

C13H24O3 — CID 123954417

IUPAC3-(2,5-dimethyloxan-3-yl)-2,5-dimethyl-1,4-dioxane
SMILESCC1COC(C)C(C2OC(C)COC2C)C1
InChIInChI=1S/C13H24O3/c1-8-5-12(10(3)14-6-8)13-11(4)15-7-9(2)16-13/h8-13H,5-7H2,1-4H3
InChIKeyRCPBSXHGNNMIEP-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.24
Rot. Bonds1

About 3-(2,5-dimethyloxan-3-yl)-2,5-dimethyl-1,4-dioxane

3-(2,5-dimethyloxan-3-yl)-2,5-dimethyl-1,4-dioxane (PubChem CID 123954417) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 3-(2,5-dimethyloxan-3-yl)-2,5-dimethyl-1,4-dioxane.

Molecular Properties

Compound Name3-(2,5-dimethyloxan-3-yl)-2,5-dimethyl-1,4-dioxane
PubChem CID123954417
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name3-(2,5-dimethyloxan-3-yl)-2,5-dimethyl-1,4-dioxane
SMILESCC1COC(C)C(C2OC(C)COC2C)C1
InChIInChI=1S/C13H24O3/c1-8-5-12(10(3)14-6-8)13-11(4)15-7-9(2)16-13/h8-13H,5-7H2,1-4H3
InChIKeyRCPBSXHGNNMIEP-UHFFFAOYSA-N
XLogP2.24
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2,3,5-trimethyloxane
CID 58758243
2,5-dimethyloxan-3-amine
CID 20600657
(2R,3S,5R)-2,5-dimethyloxan-3-amine
CID 129045857
(2R,5S)-2,5-dimethyl-N-phosphanyloxan-3-amine
CID 139394309
4-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
CID 167015237
2,4-dimethyl-1,3-dioxolane;methane
CID 162253939
(2S)-2,5-dimethyl-1,4-dioxane
CID 6712981
3-methyl-4-oxatricyclo[5.2.1.02,6]decane;4-methyl-3-oxatricyclo[5.2.1.02,6]decane
CID 159582488
[(4R)-4-methyl-1,3-dioxolan-2-yl]methanol
CID 142218805
2-(difluoromethyl)-4-methyloxolane
CID 171762021
2-fluoro-4-methyloxolane
CID 57195800
4-methyloxolan-2-ol
CID 11007834

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethyloxan-3-yl)-2,5-dimethyl-1,4-dioxane?
The IUPAC name of 3-(2,5-dimethyloxan-3-yl)-2,5-dimethyl-1,4-dioxane (CID 123954417) is 3-(2,5-dimethyloxan-3-yl)-2,5-dimethyl-1,4-dioxane.
What is the SMILES notation for 3-(2,5-dimethyloxan-3-yl)-2,5-dimethyl-1,4-dioxane?
The canonical SMILES for 3-(2,5-dimethyloxan-3-yl)-2,5-dimethyl-1,4-dioxane is CC1COC(C)C(C2OC(C)COC2C)C1.
What is the InChIKey of 3-(2,5-dimethyloxan-3-yl)-2,5-dimethyl-1,4-dioxane?
The InChIKey is RCPBSXHGNNMIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-8-5-12(10(3)14-6-8)13-11(4)15-7-9(2)16-13/h8-13H,5-7H2,1-4H3.
What are the key properties of 3-(2,5-dimethyloxan-3-yl)-2,5-dimethyl-1,4-dioxane?
3-(2,5-dimethyloxan-3-yl)-2,5-dimethyl-1,4-dioxane has a molecular weight of 228.33 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethyloxan-3-yl)-2,5-dimethyl-1,4-dioxane is sourced from PubChem (CID 123954417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).