(2S,6R)-2-[(1R)-cyclohex-3-en-1-yl]-4,4,6-trimethyl-1,3-dioxane

C13H22O2 — CID 6555000

IUPAC(2S,6R)-2-[(1R)-cyclohex-3-en-1-yl]-4,4,6-trimethyl-1,3-dioxane
SMILESC[C@@H]1CC(C)(C)O[C@@H]([C@H]2CC=CCC2)O1
InChIInChI=1S/C13H22O2/c1-10-9-13(2,3)15-12(14-10)11-7-5-4-6-8-11/h4-5,10-12H,6-9H2,1-3H3/t10-,11+,12+/m1/s1
InChIKeyYVPPRQDLDOPKFY-WOPDTQHZSA-N
MW210.32 g/mol
LogP3.27
Rot. Bonds1

About (2S,6R)-2-[(1R)-cyclohex-3-en-1-yl]-4,4,6-trimethyl-1,3-dioxane

(2S,6R)-2-[(1R)-cyclohex-3-en-1-yl]-4,4,6-trimethyl-1,3-dioxane (PubChem CID 6555000) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (2S,6R)-2-[(1R)-cyclohex-3-en-1-yl]-4,4,6-trimethyl-1,3-dioxane.

Molecular Properties

Compound Name(2S,6R)-2-[(1R)-cyclohex-3-en-1-yl]-4,4,6-trimethyl-1,3-dioxane
PubChem CID6555000
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(2S,6R)-2-[(1R)-cyclohex-3-en-1-yl]-4,4,6-trimethyl-1,3-dioxane
SMILESC[C@@H]1CC(C)(C)O[C@@H]([C@H]2CC=CCC2)O1
InChIInChI=1S/C13H22O2/c1-10-9-13(2,3)15-12(14-10)11-7-5-4-6-8-11/h4-5,10-12H,6-9H2,1-3H3/t10-,11+,12+/m1/s1
InChIKeyYVPPRQDLDOPKFY-WOPDTQHZSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-[(1R)-cyclohex-3-en-1-yl]-4,4,6-trimethyl-1,3-dioxane?
The IUPAC name of (2S,6R)-2-[(1R)-cyclohex-3-en-1-yl]-4,4,6-trimethyl-1,3-dioxane (CID 6555000) is (2S,6R)-2-[(1R)-cyclohex-3-en-1-yl]-4,4,6-trimethyl-1,3-dioxane.
What is the SMILES notation for (2S,6R)-2-[(1R)-cyclohex-3-en-1-yl]-4,4,6-trimethyl-1,3-dioxane?
The canonical SMILES for (2S,6R)-2-[(1R)-cyclohex-3-en-1-yl]-4,4,6-trimethyl-1,3-dioxane is C[C@@H]1CC(C)(C)O[C@@H]([C@H]2CC=CCC2)O1.
What is the InChIKey of (2S,6R)-2-[(1R)-cyclohex-3-en-1-yl]-4,4,6-trimethyl-1,3-dioxane?
The InChIKey is YVPPRQDLDOPKFY-WOPDTQHZSA-N. The full InChI is InChI=1S/C13H22O2/c1-10-9-13(2,3)15-12(14-10)11-7-5-4-6-8-11/h4-5,10-12H,6-9H2,1-3H3/t10-,11+,12+/m1/s1.
What are the key properties of (2S,6R)-2-[(1R)-cyclohex-3-en-1-yl]-4,4,6-trimethyl-1,3-dioxane?
(2S,6R)-2-[(1R)-cyclohex-3-en-1-yl]-4,4,6-trimethyl-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 (2S,6R)-2-[(1R)-cyclohex-3-en-1-yl]-4,4,6-trimethyl-1,3-dioxane is sourced from PubChem (CID 6555000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).