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

C14H24O2 — CID 11900413

IUPAC(2R,4S)-4-methyl-2-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]-1,3-dioxane
SMILESCC1=C[C@H](C)[C@H]([C@@H]2OCC[C@H](C)O2)[C@H](C)C1
InChIInChI=1S/C14H24O2/c1-9-7-10(2)13(11(3)8-9)14-15-6-5-12(4)16-14/h7,10-14H,5-6,8H2,1-4H3/t10-,11+,12-,13-,14+/m0/s1
InChIKeyATFSHVJXFUUWIV-ZUWCUPBKSA-N
MW224.34 g/mol
LogP3.38
Rot. Bonds1

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

(2R,4S)-4-methyl-2-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]-1,3-dioxane (PubChem CID 11900413) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (2R,4S)-4-methyl-2-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]-1,3-dioxane.

Molecular Properties

Compound Name(2R,4S)-4-methyl-2-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]-1,3-dioxane
PubChem CID11900413
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(2R,4S)-4-methyl-2-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]-1,3-dioxane
SMILESCC1=C[C@H](C)[C@H]([C@@H]2OCC[C@H](C)O2)[C@H](C)C1
InChIInChI=1S/C14H24O2/c1-9-7-10(2)13(11(3)8-9)14-15-6-5-12(4)16-14/h7,10-14H,5-6,8H2,1-4H3/t10-,11+,12-,13-,14+/m0/s1
InChIKeyATFSHVJXFUUWIV-ZUWCUPBKSA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,4S)-4-methyl-2-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]-1,3-dioxane with MolForge

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Launch Full Analysis

Related Compounds

(2R,4R)-4-(chloromethyl)-2-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]-1,3-dioxolane
CID 11900414
4-(chloromethyl)-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane
CID 3115175
(2S,5S)-4,4,5-trimethyl-2-[(1S,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]-1,3-dioxolane
CID 98188712
1,3,4,5-tetramethylcyclohexene
CID 12751050
1-benzyl-1-[[2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolan-4-yl]methyl]piperidin-1-ium
CID 23881760
(1R,2S,3S,6R,8S)-3-methyl-5,7,9-trioxatricyclo[6.3.0.02,6]undecane
CID 130240779
2-[(1R,6R)-4,6-dimethylcyclohex-3-en-1-yl]-1,3-dioxolane
CID 764100
(3S,4R,5R)-4-azido-1,3,5-trimethylcyclohexene
CID 58150819
(1S,2S,6S)-2,4,6-trimethylcyclohex-3-ene-1-carbaldehyde
CID 7373245
(1R,2R,6R)-2,4,6-trimethylcyclohex-3-ene-1-carbonitrile
CID 11899238
5-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan
CID 118906429
(3R,4S)-3-ethyl-1,4-dimethylcyclopentene
CID 163464724

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-methyl-2-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]-1,3-dioxane?
The IUPAC name of (2R,4S)-4-methyl-2-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]-1,3-dioxane (CID 11900413) is (2R,4S)-4-methyl-2-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]-1,3-dioxane.
What is the SMILES notation for (2R,4S)-4-methyl-2-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]-1,3-dioxane?
The canonical SMILES for (2R,4S)-4-methyl-2-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]-1,3-dioxane is CC1=C[C@H](C)[C@H]([C@@H]2OCC[C@H](C)O2)[C@H](C)C1.
What is the InChIKey of (2R,4S)-4-methyl-2-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]-1,3-dioxane?
The InChIKey is ATFSHVJXFUUWIV-ZUWCUPBKSA-N. The full InChI is InChI=1S/C14H24O2/c1-9-7-10(2)13(11(3)8-9)14-15-6-5-12(4)16-14/h7,10-14H,5-6,8H2,1-4H3/t10-,11+,12-,13-,14+/m0/s1.
What are the key properties of (2R,4S)-4-methyl-2-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]-1,3-dioxane?
(2R,4S)-4-methyl-2-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]-1,3-dioxane has a molecular weight of 224.34 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-methyl-2-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]-1,3-dioxane is sourced from PubChem (CID 11900413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).