5-butan-2-yl-2-(3,5-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-1,3-dioxane

C18H32O2 — CID 19803356

IUPAC5-butan-2-yl-2-(3,5-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-1,3-dioxane
SMILESCCC(C)C1(C)COC(C)(C2CC(C)=CC(C)C2)OC1
InChIInChI=1S/C18H32O2/c1-7-15(4)17(5)11-19-18(6,20-12-17)16-9-13(2)8-14(3)10-16/h8,13,15-16H,7,9-12H2,1-6H3
InChIKeyBOPONXFAUJHTOW-UHFFFAOYSA-N
MW280.45 g/mol
LogP4.79
Rot. Bonds3

About 5-butan-2-yl-2-(3,5-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-1,3-dioxane

5-butan-2-yl-2-(3,5-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-1,3-dioxane (PubChem CID 19803356) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is 5-butan-2-yl-2-(3,5-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name5-butan-2-yl-2-(3,5-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-1,3-dioxane
PubChem CID19803356
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name5-butan-2-yl-2-(3,5-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-1,3-dioxane
SMILESCCC(C)C1(C)COC(C)(C2CC(C)=CC(C)C2)OC1
InChIInChI=1S/C18H32O2/c1-7-15(4)17(5)11-19-18(6,20-12-17)16-9-13(2)8-14(3)10-16/h8,13,15-16H,7,9-12H2,1-6H3
InChIKeyBOPONXFAUJHTOW-UHFFFAOYSA-N
XLogP4.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.45
LogP ≤ 54.79
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 5-butan-2-yl-2-(3,5-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-1,3-dioxane?
The IUPAC name of 5-butan-2-yl-2-(3,5-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-1,3-dioxane (CID 19803356) is 5-butan-2-yl-2-(3,5-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-1,3-dioxane.
What is the SMILES notation for 5-butan-2-yl-2-(3,5-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-1,3-dioxane?
The canonical SMILES for 5-butan-2-yl-2-(3,5-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-1,3-dioxane is CCC(C)C1(C)COC(C)(C2CC(C)=CC(C)C2)OC1.
What is the InChIKey of 5-butan-2-yl-2-(3,5-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-1,3-dioxane?
The InChIKey is BOPONXFAUJHTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2/c1-7-15(4)17(5)11-19-18(6,20-12-17)16-9-13(2)8-14(3)10-16/h8,13,15-16H,7,9-12H2,1-6H3.
What are the key properties of 5-butan-2-yl-2-(3,5-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-1,3-dioxane?
5-butan-2-yl-2-(3,5-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-1,3-dioxane has a molecular weight of 280.45 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-(3,5-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-1,3-dioxane is sourced from PubChem (CID 19803356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).