2-[(E)-2-[4-(4-cyclohexylcyclohexyl)cyclohexyl]ethenyl]-1,3-dioxane

C24H40O2 — CID 67763426

IUPAC2-[(E)-2-[4-(4-cyclohexylcyclohexyl)cyclohexyl]ethenyl]-1,3-dioxane
SMILESC(=C/C1OCCCO1)\C1CCC(C2CCC(C3CCCCC3)CC2)CC1
InChIInChI=1S/C24H40O2/c1-2-5-20(6-3-1)22-12-14-23(15-13-22)21-10-7-19(8-11-21)9-16-24-25-17-4-18-26-24/h9,16,19-24H,1-8,10-15,17-18H2/b16-9+
InChIKeyQUCFREUTAMGXPV-CXUHLZMHSA-N
MW360.58 g/mol
LogP6.50
Rot. Bonds4

About 2-[(E)-2-[4-(4-cyclohexylcyclohexyl)cyclohexyl]ethenyl]-1,3-dioxane

2-[(E)-2-[4-(4-cyclohexylcyclohexyl)cyclohexyl]ethenyl]-1,3-dioxane (PubChem CID 67763426) has the molecular formula C24H40O2 and a molecular weight of 360.58 g/mol. Its IUPAC name is 2-[(E)-2-[4-(4-cyclohexylcyclohexyl)cyclohexyl]ethenyl]-1,3-dioxane.

Molecular Properties

Compound Name2-[(E)-2-[4-(4-cyclohexylcyclohexyl)cyclohexyl]ethenyl]-1,3-dioxane
PubChem CID67763426
Molecular FormulaC24H40O2
Molecular Weight360.58 g/mol
Exact Mass360.30
IUPAC Name2-[(E)-2-[4-(4-cyclohexylcyclohexyl)cyclohexyl]ethenyl]-1,3-dioxane
SMILESC(=C/C1OCCCO1)\C1CCC(C2CCC(C3CCCCC3)CC2)CC1
InChIInChI=1S/C24H40O2/c1-2-5-20(6-3-1)22-12-14-23(15-13-22)21-10-7-19(8-11-21)9-16-24-25-17-4-18-26-24/h9,16,19-24H,1-8,10-15,17-18H2/b16-9+
InChIKeyQUCFREUTAMGXPV-CXUHLZMHSA-N
XLogP6.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.58
LogP ≤ 56.50
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-[(E)-2-[4-(4-cyclohexylcyclohexyl)cyclohexyl]ethenyl]-1,3-dioxane?
The IUPAC name of 2-[(E)-2-[4-(4-cyclohexylcyclohexyl)cyclohexyl]ethenyl]-1,3-dioxane (CID 67763426) is 2-[(E)-2-[4-(4-cyclohexylcyclohexyl)cyclohexyl]ethenyl]-1,3-dioxane.
What is the SMILES notation for 2-[(E)-2-[4-(4-cyclohexylcyclohexyl)cyclohexyl]ethenyl]-1,3-dioxane?
The canonical SMILES for 2-[(E)-2-[4-(4-cyclohexylcyclohexyl)cyclohexyl]ethenyl]-1,3-dioxane is C(=C/C1OCCCO1)\C1CCC(C2CCC(C3CCCCC3)CC2)CC1.
What is the InChIKey of 2-[(E)-2-[4-(4-cyclohexylcyclohexyl)cyclohexyl]ethenyl]-1,3-dioxane?
The InChIKey is QUCFREUTAMGXPV-CXUHLZMHSA-N. The full InChI is InChI=1S/C24H40O2/c1-2-5-20(6-3-1)22-12-14-23(15-13-22)21-10-7-19(8-11-21)9-16-24-25-17-4-18-26-24/h9,16,19-24H,1-8,10-15,17-18H2/b16-9+.
What are the key properties of 2-[(E)-2-[4-(4-cyclohexylcyclohexyl)cyclohexyl]ethenyl]-1,3-dioxane?
2-[(E)-2-[4-(4-cyclohexylcyclohexyl)cyclohexyl]ethenyl]-1,3-dioxane has a molecular weight of 360.58 g/mol, XLogP of 6.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[4-(4-cyclohexylcyclohexyl)cyclohexyl]ethenyl]-1,3-dioxane is sourced from PubChem (CID 67763426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).