5-(4-ethenylcyclohexyl)-2-[2-(4-propylcyclohexyl)ethenyl]oxane

C24H40O — CID 76840318

IUPAC5-(4-ethenylcyclohexyl)-2-[2-(4-propylcyclohexyl)ethenyl]oxane
SMILESC=CC1CCC(C2CCC(C=CC3CCC(CCC)CC3)OC2)CC1
InChIInChI=1S/C24H40O/c1-3-5-20-6-8-21(9-7-20)12-16-24-17-15-23(18-25-24)22-13-10-19(4-2)11-14-22/h4,12,16,19-24H,2-3,5-11,13-15,17-18H2,1H3
InChIKeyAYGQJANIHPIGTQ-UHFFFAOYSA-N
MW344.58 g/mol
LogP6.94
Rot. Bonds6

About 5-(4-ethenylcyclohexyl)-2-[2-(4-propylcyclohexyl)ethenyl]oxane

5-(4-ethenylcyclohexyl)-2-[2-(4-propylcyclohexyl)ethenyl]oxane (PubChem CID 76840318) has the molecular formula C24H40O and a molecular weight of 344.58 g/mol. Its IUPAC name is 5-(4-ethenylcyclohexyl)-2-[2-(4-propylcyclohexyl)ethenyl]oxane.

Molecular Properties

Compound Name5-(4-ethenylcyclohexyl)-2-[2-(4-propylcyclohexyl)ethenyl]oxane
PubChem CID76840318
Molecular FormulaC24H40O
Molecular Weight344.58 g/mol
Exact Mass344.31
IUPAC Name5-(4-ethenylcyclohexyl)-2-[2-(4-propylcyclohexyl)ethenyl]oxane
SMILESC=CC1CCC(C2CCC(C=CC3CCC(CCC)CC3)OC2)CC1
InChIInChI=1S/C24H40O/c1-3-5-20-6-8-21(9-7-20)12-16-24-17-15-23(18-25-24)22-13-10-19(4-2)11-14-22/h4,12,16,19-24H,2-3,5-11,13-15,17-18H2,1H3
InChIKeyAYGQJANIHPIGTQ-UHFFFAOYSA-N
XLogP6.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.58
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(4-ethenylcyclohexyl)-2-[2-(4-propylcyclohexyl)ethenyl]oxane?
The IUPAC name of 5-(4-ethenylcyclohexyl)-2-[2-(4-propylcyclohexyl)ethenyl]oxane (CID 76840318) is 5-(4-ethenylcyclohexyl)-2-[2-(4-propylcyclohexyl)ethenyl]oxane.
What is the SMILES notation for 5-(4-ethenylcyclohexyl)-2-[2-(4-propylcyclohexyl)ethenyl]oxane?
The canonical SMILES for 5-(4-ethenylcyclohexyl)-2-[2-(4-propylcyclohexyl)ethenyl]oxane is C=CC1CCC(C2CCC(C=CC3CCC(CCC)CC3)OC2)CC1.
What is the InChIKey of 5-(4-ethenylcyclohexyl)-2-[2-(4-propylcyclohexyl)ethenyl]oxane?
The InChIKey is AYGQJANIHPIGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O/c1-3-5-20-6-8-21(9-7-20)12-16-24-17-15-23(18-25-24)22-13-10-19(4-2)11-14-22/h4,12,16,19-24H,2-3,5-11,13-15,17-18H2,1H3.
What are the key properties of 5-(4-ethenylcyclohexyl)-2-[2-(4-propylcyclohexyl)ethenyl]oxane?
5-(4-ethenylcyclohexyl)-2-[2-(4-propylcyclohexyl)ethenyl]oxane has a molecular weight of 344.58 g/mol, XLogP of 6.94, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethenylcyclohexyl)-2-[2-(4-propylcyclohexyl)ethenyl]oxane is sourced from PubChem (CID 76840318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).