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

C24H40O — CID 76840317

IUPAC2-ethenyl-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane
SMILESC=CC1CCC(C=CC2CCC(C3CCC(CCC)CC3)CC2)CO1
InChIInChI=1S/C24H40O/c1-3-5-19-8-13-22(14-9-19)23-15-10-20(11-16-23)6-7-21-12-17-24(4-2)25-18-21/h4,6-7,19-24H,2-3,5,8-18H2,1H3
InChIKeyXPSSQAZEQYYCPY-UHFFFAOYSA-N
MW344.58 g/mol
LogP6.94
Rot. Bonds6

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

2-ethenyl-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane (PubChem CID 76840317) has the molecular formula C24H40O and a molecular weight of 344.58 g/mol. Its IUPAC name is 2-ethenyl-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane.

Molecular Properties

Compound Name2-ethenyl-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane
PubChem CID76840317
Molecular FormulaC24H40O
Molecular Weight344.58 g/mol
Exact Mass344.31
IUPAC Name2-ethenyl-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane
SMILESC=CC1CCC(C=CC2CCC(C3CCC(CCC)CC3)CC2)CO1
InChIInChI=1S/C24H40O/c1-3-5-19-8-13-22(14-9-19)23-15-10-20(11-16-23)6-7-21-12-17-24(4-2)25-18-21/h4,6-7,19-24H,2-3,5,8-18H2,1H3
InChIKeyXPSSQAZEQYYCPY-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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Related Compounds

2-ethenyl-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]oxane
CID 76840292
5-(4-ethenylcyclohexyl)-2-[2-(4-propylcyclohexyl)ethenyl]oxane
CID 76840318
5-(oxiran-2-yl)-2-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane
CID 89008539
2-[2-(4-ethenylcyclohexyl)ethenyl]-5-(4-pentylcyclohexyl)oxane
CID 76840289
2-ethenyl-5-[4-(4-pentylcyclohexyl)cyclohexyl]oxane
CID 58620646
5-[2-(4-ethylcyclohexyl)ethenyl]-2-(4-propylcyclohexyl)oxane
CID 76840358
1-[(1E)-buta-1,3-dienyl]-4-(4-propylcyclohexyl)cyclohexane
CID 22915763
[4-[5-[(E)-2-(4-propylcyclohexyl)ethenyl]oxan-2-yl]cyclohexyl]methanol
CID 70829400
1-butyl-4-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]cyclohexane
CID 139659740
2-ethenyl-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22383771
(4aR,6R,8aR)-2-ethenyl-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20807970
1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane
CID 18724324

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane?
The IUPAC name of 2-ethenyl-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane (CID 76840317) is 2-ethenyl-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane.
What is the SMILES notation for 2-ethenyl-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane?
The canonical SMILES for 2-ethenyl-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane is C=CC1CCC(C=CC2CCC(C3CCC(CCC)CC3)CC2)CO1.
What is the InChIKey of 2-ethenyl-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane?
The InChIKey is XPSSQAZEQYYCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O/c1-3-5-19-8-13-22(14-9-19)23-15-10-20(11-16-23)6-7-21-12-17-24(4-2)25-18-21/h4,6-7,19-24H,2-3,5,8-18H2,1H3.
What are the key properties of 2-ethenyl-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane?
2-ethenyl-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]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 2-ethenyl-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane is sourced from PubChem (CID 76840317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).