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

C12H24O2 — CID 14869108

IUPAC2,2-dimethyl-4,6-di(propan-2-yl)-1,3-dioxane
SMILESCC(C)C1CC(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
InChIKeyDKOJWQJVAWZYFL-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.21
Rot. Bonds2

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

2,2-dimethyl-4,6-di(propan-2-yl)-1,3-dioxane (PubChem CID 14869108) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2,2-dimethyl-4,6-di(propan-2-yl)-1,3-dioxane.

Molecular Properties

Compound Name2,2-dimethyl-4,6-di(propan-2-yl)-1,3-dioxane
PubChem CID14869108
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2,2-dimethyl-4,6-di(propan-2-yl)-1,3-dioxane
SMILESCC(C)C1CC(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
InChIKeyDKOJWQJVAWZYFL-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4,6-di(propan-2-yl)-1,3-dioxane?
The IUPAC name of 2,2-dimethyl-4,6-di(propan-2-yl)-1,3-dioxane (CID 14869108) is 2,2-dimethyl-4,6-di(propan-2-yl)-1,3-dioxane.
What is the SMILES notation for 2,2-dimethyl-4,6-di(propan-2-yl)-1,3-dioxane?
The canonical SMILES for 2,2-dimethyl-4,6-di(propan-2-yl)-1,3-dioxane is CC(C)C1CC(C(C)C)OC(C)(C)O1.
What is the InChIKey of 2,2-dimethyl-4,6-di(propan-2-yl)-1,3-dioxane?
The InChIKey is DKOJWQJVAWZYFL-UHFFFAOYSA-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.
What are the key properties of 2,2-dimethyl-4,6-di(propan-2-yl)-1,3-dioxane?
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 2,2-dimethyl-4,6-di(propan-2-yl)-1,3-dioxane is sourced from PubChem (CID 14869108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).