(4R,6R)-2,4,6-trimethyl-2-(4-methylpent-3-enyl)-1,3-dioxane

C13H24O2 — CID 134895898

IUPAC(4R,6R)-2,4,6-trimethyl-2-(4-methylpent-3-enyl)-1,3-dioxane
SMILESCC(C)=CCCC1(C)O[C@H](C)C[C@@H](C)O1
InChIInChI=1S/C13H24O2/c1-10(2)7-6-8-13(5)14-11(3)9-12(4)15-13/h7,11-12H,6,8-9H2,1-5H3/t11-,12-/m1/s1
InChIKeyJEGUBNOJTVJCMA-VXGBXAGGSA-N
MW212.33 g/mol
LogP3.66
Rot. Bonds3

About (4R,6R)-2,4,6-trimethyl-2-(4-methylpent-3-enyl)-1,3-dioxane

(4R,6R)-2,4,6-trimethyl-2-(4-methylpent-3-enyl)-1,3-dioxane (PubChem CID 134895898) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (4R,6R)-2,4,6-trimethyl-2-(4-methylpent-3-enyl)-1,3-dioxane.

Molecular Properties

Compound Name(4R,6R)-2,4,6-trimethyl-2-(4-methylpent-3-enyl)-1,3-dioxane
PubChem CID134895898
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(4R,6R)-2,4,6-trimethyl-2-(4-methylpent-3-enyl)-1,3-dioxane
SMILESCC(C)=CCCC1(C)O[C@H](C)C[C@@H](C)O1
InChIInChI=1S/C13H24O2/c1-10(2)7-6-8-13(5)14-11(3)9-12(4)15-13/h7,11-12H,6,8-9H2,1-5H3/t11-,12-/m1/s1
InChIKeyJEGUBNOJTVJCMA-VXGBXAGGSA-N
XLogP3.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,6R)-2,4,6-trimethyl-2-(4-methylpent-3-enyl)-1,3-dioxane?
The IUPAC name of (4R,6R)-2,4,6-trimethyl-2-(4-methylpent-3-enyl)-1,3-dioxane (CID 134895898) is (4R,6R)-2,4,6-trimethyl-2-(4-methylpent-3-enyl)-1,3-dioxane.
What is the SMILES notation for (4R,6R)-2,4,6-trimethyl-2-(4-methylpent-3-enyl)-1,3-dioxane?
The canonical SMILES for (4R,6R)-2,4,6-trimethyl-2-(4-methylpent-3-enyl)-1,3-dioxane is CC(C)=CCCC1(C)O[C@H](C)C[C@@H](C)O1.
What is the InChIKey of (4R,6R)-2,4,6-trimethyl-2-(4-methylpent-3-enyl)-1,3-dioxane?
The InChIKey is JEGUBNOJTVJCMA-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H24O2/c1-10(2)7-6-8-13(5)14-11(3)9-12(4)15-13/h7,11-12H,6,8-9H2,1-5H3/t11-,12-/m1/s1.
What are the key properties of (4R,6R)-2,4,6-trimethyl-2-(4-methylpent-3-enyl)-1,3-dioxane?
(4R,6R)-2,4,6-trimethyl-2-(4-methylpent-3-enyl)-1,3-dioxane has a molecular weight of 212.33 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-2,4,6-trimethyl-2-(4-methylpent-3-enyl)-1,3-dioxane is sourced from PubChem (CID 134895898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).