2-(4-butylcyclohexyl)-5-[2-(5-prop-1-enyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane

C23H40O4 — CID 54348466

IUPAC2-(4-butylcyclohexyl)-5-[2-(5-prop-1-enyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane
SMILESCC=CC1COC(CCC2COC(C3CCC(CCCC)CC3)OC2)OC1
InChIInChI=1S/C23H40O4/c1-3-5-7-18-8-11-21(12-9-18)23-26-16-20(17-27-23)10-13-22-24-14-19(6-4-2)15-25-22/h4,6,18-23H,3,5,7-17H2,1-2H3
InChIKeyUDYYJTRKGYETAP-UHFFFAOYSA-N
MW380.57 g/mol
LogP5.32
Rot. Bonds8

About 2-(4-butylcyclohexyl)-5-[2-(5-prop-1-enyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane

2-(4-butylcyclohexyl)-5-[2-(5-prop-1-enyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane (PubChem CID 54348466) has the molecular formula C23H40O4 and a molecular weight of 380.57 g/mol. Its IUPAC name is 2-(4-butylcyclohexyl)-5-[2-(5-prop-1-enyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane.

Molecular Properties

Compound Name2-(4-butylcyclohexyl)-5-[2-(5-prop-1-enyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane
PubChem CID54348466
Molecular FormulaC23H40O4
Molecular Weight380.57 g/mol
Exact Mass380.29
IUPAC Name2-(4-butylcyclohexyl)-5-[2-(5-prop-1-enyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane
SMILESCC=CC1COC(CCC2COC(C3CCC(CCCC)CC3)OC2)OC1
InChIInChI=1S/C23H40O4/c1-3-5-7-18-8-11-21(12-9-18)23-26-16-20(17-27-23)10-13-22-24-14-19(6-4-2)15-25-22/h4,6,18-23H,3,5,7-17H2,1-2H3
InChIKeyUDYYJTRKGYETAP-UHFFFAOYSA-N
XLogP5.32
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.57
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-butylcyclohexyl)-5-[2-(5-prop-1-enyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane with MolForge

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Related Compounds

2-(4-butylcyclohexyl)-5-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane;2-(4-butylcyclohexyl)-5-[2-(5-prop-1-enyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane
CID 162195282
2-(4-ethylcyclohexyl)-5-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane
CID 22910567
2-ethyl-5-[2-[5-[(Z)-prop-1-enyl]-1,3-dioxan-2-yl]ethyl]-1,3-dioxane
CID 70186654
5-butyl-2-[4-[4-(2-chloroethenyl)cyclohexyl]cyclohexyl]-1,3-dioxane
CID 54530711
5-but-1-enyl-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane
CID 57218555
1-pentyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 20594578
5-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]butyl]-2-(4-propylcyclohexyl)-1,3-dioxane
CID 20599965
2-[2-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]cyclohexyl]ethyl]-5-propyl-1,3-dioxane
CID 20599508
5-[(E)-pent-3-enyl]-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane
CID 22910733
2-propyl-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane
CID 22910604
1-(4-pentylcyclohexyl)-4-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexane
CID 19070151
1-butyl-4-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]cyclohexane
CID 139659740

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylcyclohexyl)-5-[2-(5-prop-1-enyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane?
The IUPAC name of 2-(4-butylcyclohexyl)-5-[2-(5-prop-1-enyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane (CID 54348466) is 2-(4-butylcyclohexyl)-5-[2-(5-prop-1-enyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane.
What is the SMILES notation for 2-(4-butylcyclohexyl)-5-[2-(5-prop-1-enyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane?
The canonical SMILES for 2-(4-butylcyclohexyl)-5-[2-(5-prop-1-enyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane is CC=CC1COC(CCC2COC(C3CCC(CCCC)CC3)OC2)OC1.
What is the InChIKey of 2-(4-butylcyclohexyl)-5-[2-(5-prop-1-enyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane?
The InChIKey is UDYYJTRKGYETAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O4/c1-3-5-7-18-8-11-21(12-9-18)23-26-16-20(17-27-23)10-13-22-24-14-19(6-4-2)15-25-22/h4,6,18-23H,3,5,7-17H2,1-2H3.
What are the key properties of 2-(4-butylcyclohexyl)-5-[2-(5-prop-1-enyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane?
2-(4-butylcyclohexyl)-5-[2-(5-prop-1-enyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane has a molecular weight of 380.57 g/mol, XLogP of 5.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylcyclohexyl)-5-[2-(5-prop-1-enyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane is sourced from PubChem (CID 54348466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).