2-(3,5-dimethylcyclohex-3-en-1-yl)-5-ethyl-2-methyl-4-propyl-1,3-dioxane

C18H32O2 — CID 19803373

IUPAC2-(3,5-dimethylcyclohex-3-en-1-yl)-5-ethyl-2-methyl-4-propyl-1,3-dioxane
SMILESCCCC1OC(C)(C2CC(C)=CC(C)C2)OCC1CC
InChIInChI=1S/C18H32O2/c1-6-8-17-15(7-2)12-19-18(5,20-17)16-10-13(3)9-14(4)11-16/h9,13,15-17H,6-8,10-12H2,1-5H3
InChIKeyHCGMEOKKJVEIKI-UHFFFAOYSA-N
MW280.45 g/mol
LogP4.94
Rot. Bonds4

About 2-(3,5-dimethylcyclohex-3-en-1-yl)-5-ethyl-2-methyl-4-propyl-1,3-dioxane

2-(3,5-dimethylcyclohex-3-en-1-yl)-5-ethyl-2-methyl-4-propyl-1,3-dioxane (PubChem CID 19803373) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is 2-(3,5-dimethylcyclohex-3-en-1-yl)-5-ethyl-2-methyl-4-propyl-1,3-dioxane.

Molecular Properties

Compound Name2-(3,5-dimethylcyclohex-3-en-1-yl)-5-ethyl-2-methyl-4-propyl-1,3-dioxane
PubChem CID19803373
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name2-(3,5-dimethylcyclohex-3-en-1-yl)-5-ethyl-2-methyl-4-propyl-1,3-dioxane
SMILESCCCC1OC(C)(C2CC(C)=CC(C)C2)OCC1CC
InChIInChI=1S/C18H32O2/c1-6-8-17-15(7-2)12-19-18(5,20-17)16-10-13(3)9-14(4)11-16/h9,13,15-17H,6-8,10-12H2,1-5H3
InChIKeyHCGMEOKKJVEIKI-UHFFFAOYSA-N
XLogP4.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.45
LogP ≤ 54.94
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 2-(3,5-dimethylcyclohex-3-en-1-yl)-5-ethyl-2-methyl-4-propyl-1,3-dioxane?
The IUPAC name of 2-(3,5-dimethylcyclohex-3-en-1-yl)-5-ethyl-2-methyl-4-propyl-1,3-dioxane (CID 19803373) is 2-(3,5-dimethylcyclohex-3-en-1-yl)-5-ethyl-2-methyl-4-propyl-1,3-dioxane.
What is the SMILES notation for 2-(3,5-dimethylcyclohex-3-en-1-yl)-5-ethyl-2-methyl-4-propyl-1,3-dioxane?
The canonical SMILES for 2-(3,5-dimethylcyclohex-3-en-1-yl)-5-ethyl-2-methyl-4-propyl-1,3-dioxane is CCCC1OC(C)(C2CC(C)=CC(C)C2)OCC1CC.
What is the InChIKey of 2-(3,5-dimethylcyclohex-3-en-1-yl)-5-ethyl-2-methyl-4-propyl-1,3-dioxane?
The InChIKey is HCGMEOKKJVEIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2/c1-6-8-17-15(7-2)12-19-18(5,20-17)16-10-13(3)9-14(4)11-16/h9,13,15-17H,6-8,10-12H2,1-5H3.
What are the key properties of 2-(3,5-dimethylcyclohex-3-en-1-yl)-5-ethyl-2-methyl-4-propyl-1,3-dioxane?
2-(3,5-dimethylcyclohex-3-en-1-yl)-5-ethyl-2-methyl-4-propyl-1,3-dioxane has a molecular weight of 280.45 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylcyclohex-3-en-1-yl)-5-ethyl-2-methyl-4-propyl-1,3-dioxane is sourced from PubChem (CID 19803373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).