5-butan-2-yl-2-[(4Z)-cyclooct-4-en-1-yl]-5-methyl-1,3-dioxane

C17H30O2 — CID 22924804

IUPAC5-butan-2-yl-2-[(4Z)-cyclooct-4-en-1-yl]-5-methyl-1,3-dioxane
SMILESCCC(C)C1(C)COC(C2CC/C=C\CCC2)OC1
InChIInChI=1S/C17H30O2/c1-4-14(2)17(3)12-18-16(19-13-17)15-10-8-6-5-7-9-11-15/h5-6,14-16H,4,7-13H2,1-3H3/b6-5-
InChIKeyWUIWTIQIQWNNPK-WAYWQWQTSA-N
MW266.42 g/mol
LogP4.55
Rot. Bonds3

About 5-butan-2-yl-2-[(4Z)-cyclooct-4-en-1-yl]-5-methyl-1,3-dioxane

5-butan-2-yl-2-[(4Z)-cyclooct-4-en-1-yl]-5-methyl-1,3-dioxane (PubChem CID 22924804) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 5-butan-2-yl-2-[(4Z)-cyclooct-4-en-1-yl]-5-methyl-1,3-dioxane.

Molecular Properties

Compound Name5-butan-2-yl-2-[(4Z)-cyclooct-4-en-1-yl]-5-methyl-1,3-dioxane
PubChem CID22924804
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name5-butan-2-yl-2-[(4Z)-cyclooct-4-en-1-yl]-5-methyl-1,3-dioxane
SMILESCCC(C)C1(C)COC(C2CC/C=C\CCC2)OC1
InChIInChI=1S/C17H30O2/c1-4-14(2)17(3)12-18-16(19-13-17)15-10-8-6-5-7-9-11-15/h5-6,14-16H,4,7-13H2,1-3H3/b6-5-
InChIKeyWUIWTIQIQWNNPK-WAYWQWQTSA-N
XLogP4.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-butan-2-yl-2-[(4Z)-cyclooct-4-en-1-yl]-5-methyl-1,3-dioxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-Dioxane, 2-(2,4-dimethyl-3-cyclohexen-1-yl)-5-methyl-5-(1-methylpropyl)-
CID 16070752
2,4-Dioxaspiro[5.5]undec-8-ene, 3-ethyl-
CID 116562
3-(3-Cyclohexenyl)-2,4-dioxaspiro(5.5)undec-8-ene
CID 15756
2,4-Dioxaspiro(5.5)undec-8-ene, 3-ethyl-8,11(or 9,11)-dimethyl-
CID 172844
5-Sec-butyl-2-(4,6-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-dioxane
CID 139415167
1,3-Dioxane, 2-[(1R,2R)-2,4-dimethyl-3-cyclohexen1-yl]-5-methyl-5-(1-methylpropyl)-, cis-
CID 165363669
1,3-Dioxane, 2-[(1S,2S)-2,4-dimethyl-3-cyclohexen1-yl]-5-methyl-5-(1-methylpropyl)-, cis-
CID 165363673
1,3-Dioxane, 2-[(1S,2R)-2,4-dimethyl-3-cyclohexen1-yl]-5-methyl-5-(1-methylpropyl)-, cis-
CID 165363674
1,3-Dioxane, 2-[(1R,2S)-2,4-dimethyl-3-cyclohexen1-yl]-5-methyl-5-(1-methylpropyl)-, cis-
CID 165363675
3-Isopropyl-9-methyl-2,4-dioxaspiro[5.5]undec-8-ene
CID 764102
5-Methyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane
CID 3115171
3-Ethenyl-7,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-8-ene
CID 3608643

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-[(4Z)-cyclooct-4-en-1-yl]-5-methyl-1,3-dioxane?
The IUPAC name of 5-butan-2-yl-2-[(4Z)-cyclooct-4-en-1-yl]-5-methyl-1,3-dioxane (CID 22924804) is 5-butan-2-yl-2-[(4Z)-cyclooct-4-en-1-yl]-5-methyl-1,3-dioxane.
What is the SMILES notation for 5-butan-2-yl-2-[(4Z)-cyclooct-4-en-1-yl]-5-methyl-1,3-dioxane?
The canonical SMILES for 5-butan-2-yl-2-[(4Z)-cyclooct-4-en-1-yl]-5-methyl-1,3-dioxane is CCC(C)C1(C)COC(C2CC/C=C\CCC2)OC1.
What is the InChIKey of 5-butan-2-yl-2-[(4Z)-cyclooct-4-en-1-yl]-5-methyl-1,3-dioxane?
The InChIKey is WUIWTIQIQWNNPK-WAYWQWQTSA-N. The full InChI is InChI=1S/C17H30O2/c1-4-14(2)17(3)12-18-16(19-13-17)15-10-8-6-5-7-9-11-15/h5-6,14-16H,4,7-13H2,1-3H3/b6-5-.
What are the key properties of 5-butan-2-yl-2-[(4Z)-cyclooct-4-en-1-yl]-5-methyl-1,3-dioxane?
5-butan-2-yl-2-[(4Z)-cyclooct-4-en-1-yl]-5-methyl-1,3-dioxane has a molecular weight of 266.42 g/mol, XLogP of 4.55, 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-[(4Z)-cyclooct-4-en-1-yl]-5-methyl-1,3-dioxane is sourced from PubChem (CID 22924804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).