2-but-3-enyl-5-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,3-dioxane

C24H40O2 — CID 59108126

IUPAC2-but-3-enyl-5-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,3-dioxane
SMILESC=CCCC1CCC(C2CCC(C3COC(CCC=C)OC3)CC2)CC1
InChIInChI=1S/C24H40O2/c1-3-5-7-19-9-11-20(12-10-19)21-13-15-22(16-14-21)23-17-25-24(26-18-23)8-6-4-2/h3-4,19-24H,1-2,5-18H2
InChIKeyKYNXXWUZJQZQSL-UHFFFAOYSA-N
MW360.58 g/mol
LogP6.52
Rot. Bonds8

About 2-but-3-enyl-5-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,3-dioxane

2-but-3-enyl-5-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,3-dioxane (PubChem CID 59108126) has the molecular formula C24H40O2 and a molecular weight of 360.58 g/mol. Its IUPAC name is 2-but-3-enyl-5-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,3-dioxane.

Molecular Properties

Compound Name2-but-3-enyl-5-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,3-dioxane
PubChem CID59108126
Molecular FormulaC24H40O2
Molecular Weight360.58 g/mol
Exact Mass360.30
IUPAC Name2-but-3-enyl-5-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,3-dioxane
SMILESC=CCCC1CCC(C2CCC(C3COC(CCC=C)OC3)CC2)CC1
InChIInChI=1S/C24H40O2/c1-3-5-7-19-9-11-20(12-10-19)21-13-15-22(16-14-21)23-17-25-24(26-18-23)8-6-4-2/h3-4,19-24H,1-2,5-18H2
InChIKeyKYNXXWUZJQZQSL-UHFFFAOYSA-N
XLogP6.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.58
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-but-3-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane
CID 18341906
1-but-3-enyl-4-(4-ethylcyclohexyl)cyclohexane
CID 53487174
1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane
CID 20683482
1-but-3-enyl-4-(4-iodocyclohexyl)cyclohexane
CID 89089631
5-[4-(4,4-difluorobut-3-enyl)cyclohexyl]-2-[(E)-pent-3-enyl]-1,3-dioxane
CID 20600013
1-but-3-enyl-4-(4-methoxycyclohexyl)cyclohexane
CID 19380394
1-but-3-enyl-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane
CID 130414902
5-[4-[4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexyl]cyclohexyl]-2-ethyl-1,3-dioxane
CID 20599988
1-but-3-enyl-4-(3-propylcyclopentyl)cyclohexane
CID 58555570
4-but-3-enylcyclohexan-1-amine
CID 142229592
2-[4-[2-(5-but-3-enyl-1,3-dioxan-2-yl)ethyl]cyclohexyl]ethyl 2,2-difluoroacetate
CID 20614981
but-3-enylcyclododecane
CID 54074675

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-5-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,3-dioxane?
The IUPAC name of 2-but-3-enyl-5-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,3-dioxane (CID 59108126) is 2-but-3-enyl-5-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,3-dioxane.
What is the SMILES notation for 2-but-3-enyl-5-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,3-dioxane?
The canonical SMILES for 2-but-3-enyl-5-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,3-dioxane is C=CCCC1CCC(C2CCC(C3COC(CCC=C)OC3)CC2)CC1.
What is the InChIKey of 2-but-3-enyl-5-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,3-dioxane?
The InChIKey is KYNXXWUZJQZQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O2/c1-3-5-7-19-9-11-20(12-10-19)21-13-15-22(16-14-21)23-17-25-24(26-18-23)8-6-4-2/h3-4,19-24H,1-2,5-18H2.
What are the key properties of 2-but-3-enyl-5-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,3-dioxane?
2-but-3-enyl-5-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,3-dioxane has a molecular weight of 360.58 g/mol, XLogP of 6.52, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-5-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,3-dioxane is sourced from PubChem (CID 59108126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).