(4R,6R)-2,2-dimethyl-4,6-di(propan-2-yl)-1,3-dioxane

C12H24O2 — CID 10845730

IUPAC(4R,6R)-2,2-dimethyl-4,6-di(propan-2-yl)-1,3-dioxane
SMILESCC(C)[C@H]1C[C@H](C(C)C)OC(C)(C)O1
InChIInChI=1S/C12H24O2/c1-8(2)10-7-11(9(3)4)14-12(5,6)13-10/h8-11H,7H2,1-6H3/t10-,11-/m1/s1
InChIKeyDKOJWQJVAWZYFL-GHMZBOCLSA-N
MW200.32 g/mol
LogP3.21
Rot. Bonds2

About (4R,6R)-2,2-dimethyl-4,6-di(propan-2-yl)-1,3-dioxane

(4R,6R)-2,2-dimethyl-4,6-di(propan-2-yl)-1,3-dioxane (PubChem CID 10845730) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (4R,6R)-2,2-dimethyl-4,6-di(propan-2-yl)-1,3-dioxane.

Molecular Properties

Compound Name(4R,6R)-2,2-dimethyl-4,6-di(propan-2-yl)-1,3-dioxane
PubChem CID10845730
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(4R,6R)-2,2-dimethyl-4,6-di(propan-2-yl)-1,3-dioxane
SMILESCC(C)[C@H]1C[C@H](C(C)C)OC(C)(C)O1
InChIInChI=1S/C12H24O2/c1-8(2)10-7-11(9(3)4)14-12(5,6)13-10/h8-11H,7H2,1-6H3/t10-,11-/m1/s1
InChIKeyDKOJWQJVAWZYFL-GHMZBOCLSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Dioxane, 2,2,5,5-tetramethyl-4-(1-methylethyl)-
CID 112457
2-Heptan-3-yl-4,4,6-trimethyl-1,3-dioxane
CID 2924887
2,5,5-Trimethyl-2-(3-methylbutyl)-1,3-dioxane
CID 83288
5-Ethyl-2,4-dipropyl-1,3-dioxane
CID 221917
3-Ethyl-2-propyl-1,5-dioxaspiro[5.5]undecane
CID 221699
(4R,5R)-2,2,5-trimethyl-4-propyl-1,3-dioxane
CID 53786941
4,4-Dimethyl-6-(2-methylpropyl)-1,3-dioxan-2-one
CID 89130325
2-Ethyl-2,5,5-trimethyl-4-(propan-2-yl)-1,3-dioxane
CID 221668
1,3-Dioxane, 4-(2-methylpropyl)
CID 91749787
4,6-Di(propan-2-yl)-1,3-dioxane
CID 567474
2,2-Dimethyl-4,6-di(propan-2-yl)-1,3-dioxane
CID 14869108
2-Methyl-5-pentyl-1,3-dioxane
CID 15376705

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-2,2-dimethyl-4,6-di(propan-2-yl)-1,3-dioxane?
The IUPAC name of (4R,6R)-2,2-dimethyl-4,6-di(propan-2-yl)-1,3-dioxane (CID 10845730) is (4R,6R)-2,2-dimethyl-4,6-di(propan-2-yl)-1,3-dioxane.
What is the SMILES notation for (4R,6R)-2,2-dimethyl-4,6-di(propan-2-yl)-1,3-dioxane?
The canonical SMILES for (4R,6R)-2,2-dimethyl-4,6-di(propan-2-yl)-1,3-dioxane is CC(C)[C@H]1C[C@H](C(C)C)OC(C)(C)O1.
What is the InChIKey of (4R,6R)-2,2-dimethyl-4,6-di(propan-2-yl)-1,3-dioxane?
The InChIKey is DKOJWQJVAWZYFL-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H24O2/c1-8(2)10-7-11(9(3)4)14-12(5,6)13-10/h8-11H,7H2,1-6H3/t10-,11-/m1/s1.
What are the key properties of (4R,6R)-2,2-dimethyl-4,6-di(propan-2-yl)-1,3-dioxane?
(4R,6R)-2,2-dimethyl-4,6-di(propan-2-yl)-1,3-dioxane has a molecular weight of 200.32 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-2,2-dimethyl-4,6-di(propan-2-yl)-1,3-dioxane is sourced from PubChem (CID 10845730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).