(4R,6R)-2-cyclohexyl-4,6-dimethyl-1,3-dioxane

C12H22O2 — CID 13072656

IUPAC(4R,6R)-2-cyclohexyl-4,6-dimethyl-1,3-dioxane
SMILESC[C@@H]1C[C@@H](C)OC(C2CCCCC2)O1
InChIInChI=1S/C12H22O2/c1-9-8-10(2)14-12(13-9)11-6-4-3-5-7-11/h9-12H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyIBMSLORVEFLRTQ-NXEZZACHSA-N
MW198.31 g/mol
LogP3.11
Rot. Bonds1

About (4R,6R)-2-cyclohexyl-4,6-dimethyl-1,3-dioxane

(4R,6R)-2-cyclohexyl-4,6-dimethyl-1,3-dioxane (PubChem CID 13072656) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (4R,6R)-2-cyclohexyl-4,6-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name(4R,6R)-2-cyclohexyl-4,6-dimethyl-1,3-dioxane
PubChem CID13072656
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(4R,6R)-2-cyclohexyl-4,6-dimethyl-1,3-dioxane
SMILESC[C@@H]1C[C@@H](C)OC(C2CCCCC2)O1
InChIInChI=1S/C12H22O2/c1-9-8-10(2)14-12(13-9)11-6-4-3-5-7-11/h9-12H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyIBMSLORVEFLRTQ-NXEZZACHSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,6R)-2-cyclohexyl-4,6-dimethyl-1,3-dioxane?
The IUPAC name of (4R,6R)-2-cyclohexyl-4,6-dimethyl-1,3-dioxane (CID 13072656) is (4R,6R)-2-cyclohexyl-4,6-dimethyl-1,3-dioxane.
What is the SMILES notation for (4R,6R)-2-cyclohexyl-4,6-dimethyl-1,3-dioxane?
The canonical SMILES for (4R,6R)-2-cyclohexyl-4,6-dimethyl-1,3-dioxane is C[C@@H]1C[C@@H](C)OC(C2CCCCC2)O1.
What is the InChIKey of (4R,6R)-2-cyclohexyl-4,6-dimethyl-1,3-dioxane?
The InChIKey is IBMSLORVEFLRTQ-NXEZZACHSA-N. The full InChI is InChI=1S/C12H22O2/c1-9-8-10(2)14-12(13-9)11-6-4-3-5-7-11/h9-12H,3-8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (4R,6R)-2-cyclohexyl-4,6-dimethyl-1,3-dioxane?
(4R,6R)-2-cyclohexyl-4,6-dimethyl-1,3-dioxane has a molecular weight of 198.31 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-2-cyclohexyl-4,6-dimethyl-1,3-dioxane is sourced from PubChem (CID 13072656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).