(4R,6R)-4,6-dimethyl-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxane

C13H22O2 — CID 134992315

IUPAC(4R,6R)-4,6-dimethyl-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxane
SMILESCC1=CCC(C2O[C@H](C)C[C@@H](C)O2)CC1
InChIInChI=1S/C13H22O2/c1-9-4-6-12(7-5-9)13-14-10(2)8-11(3)15-13/h4,10-13H,5-8H2,1-3H3/t10-,11-,12?/m1/s1
InChIKeyNMLBTFBHYPXYBN-XFKKCKKNSA-N
MW210.32 g/mol
LogP3.27
Rot. Bonds1

About (4R,6R)-4,6-dimethyl-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxane

(4R,6R)-4,6-dimethyl-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxane (PubChem CID 134992315) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (4R,6R)-4,6-dimethyl-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxane.

Molecular Properties

Compound Name(4R,6R)-4,6-dimethyl-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxane
PubChem CID134992315
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(4R,6R)-4,6-dimethyl-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxane
SMILESCC1=CCC(C2O[C@H](C)C[C@@H](C)O2)CC1
InChIInChI=1S/C13H22O2/c1-9-4-6-12(7-5-9)13-14-10(2)8-11(3)15-13/h4,10-13H,5-8H2,1-3H3/t10-,11-,12?/m1/s1
InChIKeyNMLBTFBHYPXYBN-XFKKCKKNSA-N
XLogP3.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4R,6R)-4,6-dimethyl-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxane with MolForge

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Related Compounds

1,1-Diethoxy-3,7-dimethyloct-6-ene
CID 3018210
2-Octene, 8-(1-methoxyethoxy)-2,6-dimethyl-
CID 107057
1,3-Dioxane, 2-(2,4-dimethyl-3-cyclohexen-1-yl)-5-methyl-5-(1-methylpropyl)-
CID 16070752
2-Octene, 8-(1-ethoxyethoxy)-2,6-dimethyl-
CID 111452
2-(2,6-Dimethyl-5-heptenyl)-4-methyl-1,3-dioxane
CID 228644
2,4-Dioxaspiro(5.5)undec-8-ene, 3-ethyl-8,11(or 9,11)-dimethyl-
CID 172844
2-(Cyclohex-3-en-1-yl)-4,4,6-trimethyl-1,3-dioxane
CID 242720
5-Sec-butyl-2-(4,6-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-dioxane
CID 139415167
4,5-Dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane
CID 3115170
1,3-Dioxane, 2-[(1R,2R)-2,4-dimethyl-3-cyclohexen1-yl]-5-methyl-5-(1-methylpropyl)-, cis-
CID 165363669
1,3-Dioxane, 2-[(1S,2S)-2,4-dimethyl-3-cyclohexen1-yl]-5-methyl-5-(1-methylpropyl)-, cis-
CID 165363673
1,3-Dioxane, 2-[(1S,2R)-2,4-dimethyl-3-cyclohexen1-yl]-5-methyl-5-(1-methylpropyl)-, cis-
CID 165363674

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-4,6-dimethyl-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxane?
The IUPAC name of (4R,6R)-4,6-dimethyl-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxane (CID 134992315) is (4R,6R)-4,6-dimethyl-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxane.
What is the SMILES notation for (4R,6R)-4,6-dimethyl-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxane?
The canonical SMILES for (4R,6R)-4,6-dimethyl-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxane is CC1=CCC(C2O[C@H](C)C[C@@H](C)O2)CC1.
What is the InChIKey of (4R,6R)-4,6-dimethyl-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxane?
The InChIKey is NMLBTFBHYPXYBN-XFKKCKKNSA-N. The full InChI is InChI=1S/C13H22O2/c1-9-4-6-12(7-5-9)13-14-10(2)8-11(3)15-13/h4,10-13H,5-8H2,1-3H3/t10-,11-,12?/m1/s1.
What are the key properties of (4R,6R)-4,6-dimethyl-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxane?
(4R,6R)-4,6-dimethyl-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxane has a molecular weight of 210.32 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-4,6-dimethyl-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxane is sourced from PubChem (CID 134992315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).