2-butyl-4,6-dimethyl-1,3-dioxane

C10H20O2 — CID 13357259

IUPAC2-butyl-4,6-dimethyl-1,3-dioxane
SMILESCCCCC1OC(C)CC(C)O1
InChIInChI=1S/C10H20O2/c1-4-5-6-10-11-8(2)7-9(3)12-10/h8-10H,4-7H2,1-3H3
InChIKeyGXAHPRFRJJACTN-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.72
Rot. Bonds3

About 2-butyl-4,6-dimethyl-1,3-dioxane

2-butyl-4,6-dimethyl-1,3-dioxane (PubChem CID 13357259) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-butyl-4,6-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name2-butyl-4,6-dimethyl-1,3-dioxane
PubChem CID13357259
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-butyl-4,6-dimethyl-1,3-dioxane
SMILESCCCCC1OC(C)CC(C)O1
InChIInChI=1S/C10H20O2/c1-4-5-6-10-11-8(2)7-9(3)12-10/h8-10H,4-7H2,1-3H3
InChIKeyGXAHPRFRJJACTN-UHFFFAOYSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4,6-dimethyl-1,3-dioxan-2-yl)butane-1-sulfonamide
CID 59641532
(2R,4S)-4-methyl-2-nonyl-1,3-dioxolane
CID 76959551
(2S,4R)-4-methyl-2-nonyl-1,3-dioxolane
CID 76959550
(2R,4R)-4-methyl-2-octyl-1,3-dioxolane
CID 76956297
(2S,4S)-2-hexyl-4-methyl-1,3-dioxolane
CID 36690472
2-heptyl-4-methyloxetane
CID 174470649
(4S,5R)-2-hexyl-4,5-dimethyl-1,3-dioxolane
CID 76963947
(4S,5S)-2-hexyl-4,5-dimethyl-1,3-dioxolane
CID 76963946
(2R,6S)-4,4,6-trimethyl-2-octyl-1,3-dioxane
CID 98092863
6-methyl-2-octyl-1,3-dioxan-4-one
CID 549723
trans-(1R,2S)-1-butyl-2-methylcyclopropane
CID 102002542
cis-(1S,2S)-1-butyl-2-methylcyclopropane
CID 15579941

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4,6-dimethyl-1,3-dioxane?
The IUPAC name of 2-butyl-4,6-dimethyl-1,3-dioxane (CID 13357259) is 2-butyl-4,6-dimethyl-1,3-dioxane.
What is the SMILES notation for 2-butyl-4,6-dimethyl-1,3-dioxane?
The canonical SMILES for 2-butyl-4,6-dimethyl-1,3-dioxane is CCCCC1OC(C)CC(C)O1.
What is the InChIKey of 2-butyl-4,6-dimethyl-1,3-dioxane?
The InChIKey is GXAHPRFRJJACTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-5-6-10-11-8(2)7-9(3)12-10/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-butyl-4,6-dimethyl-1,3-dioxane?
2-butyl-4,6-dimethyl-1,3-dioxane has a molecular weight of 172.27 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4,6-dimethyl-1,3-dioxane is sourced from PubChem (CID 13357259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).