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

C24H42O — CID 76840358

IUPAC5-[2-(4-ethylcyclohexyl)ethenyl]-2-(4-propylcyclohexyl)oxane
SMILESCCCC1CCC(C2CCC(C=CC3CCC(CC)CC3)CO2)CC1
InChIInChI=1S/C24H42O/c1-3-5-20-12-15-23(16-13-20)24-17-14-22(18-25-24)11-10-21-8-6-19(4-2)7-9-21/h10-11,19-24H,3-9,12-18H2,1-2H3
InChIKeyJRGYXJCAFWQLRF-UHFFFAOYSA-N
MW346.60 g/mol
LogP7.16
Rot. Bonds6

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

5-[2-(4-ethylcyclohexyl)ethenyl]-2-(4-propylcyclohexyl)oxane (PubChem CID 76840358) has the molecular formula C24H42O and a molecular weight of 346.60 g/mol. Its IUPAC name is 5-[2-(4-ethylcyclohexyl)ethenyl]-2-(4-propylcyclohexyl)oxane.

Molecular Properties

Compound Name5-[2-(4-ethylcyclohexyl)ethenyl]-2-(4-propylcyclohexyl)oxane
PubChem CID76840358
Molecular FormulaC24H42O
Molecular Weight346.60 g/mol
Exact Mass346.32
IUPAC Name5-[2-(4-ethylcyclohexyl)ethenyl]-2-(4-propylcyclohexyl)oxane
SMILESCCCC1CCC(C2CCC(C=CC3CCC(CC)CC3)CO2)CC1
InChIInChI=1S/C24H42O/c1-3-5-20-12-15-23(16-13-20)24-17-14-22(18-25-24)11-10-21-8-6-19(4-2)7-9-21/h10-11,19-24H,3-9,12-18H2,1-2H3
InChIKeyJRGYXJCAFWQLRF-UHFFFAOYSA-N
XLogP7.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 57.16
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

[4-[5-[(E)-2-(4-propylcyclohexyl)ethenyl]oxan-2-yl]cyclohexyl]methanol
CID 70829400
2-ethenyl-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane
CID 76840317
5-(oxiran-2-yl)-2-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane
CID 89008539
2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-propyloxane
CID 20599558
1-ethyl-4-[2-(4-ethylcyclohexyl)ethenyl]cyclohexane
CID 140739356
1-butyl-4-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]cyclohexane
CID 139659740
5-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]butyl]-2-(4-ethylcyclohexyl)oxane
CID 20599964
(2R,5S)-5-propyl-2-[4-(trifluoromethyl)cyclohexyl]oxane
CID 102407968
1-methyl-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane
CID 143239770
2-(4-methoxycyclohexyl)-5-[2-(4-propylcyclohexyl)ethyl]oxane
CID 58620720
5-(4-ethenylcyclohexyl)-2-[2-(4-propylcyclohexyl)ethenyl]oxane
CID 76840318
5-[4-[2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxane
CID 123480399

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-ethylcyclohexyl)ethenyl]-2-(4-propylcyclohexyl)oxane?
The IUPAC name of 5-[2-(4-ethylcyclohexyl)ethenyl]-2-(4-propylcyclohexyl)oxane (CID 76840358) is 5-[2-(4-ethylcyclohexyl)ethenyl]-2-(4-propylcyclohexyl)oxane.
What is the SMILES notation for 5-[2-(4-ethylcyclohexyl)ethenyl]-2-(4-propylcyclohexyl)oxane?
The canonical SMILES for 5-[2-(4-ethylcyclohexyl)ethenyl]-2-(4-propylcyclohexyl)oxane is CCCC1CCC(C2CCC(C=CC3CCC(CC)CC3)CO2)CC1.
What is the InChIKey of 5-[2-(4-ethylcyclohexyl)ethenyl]-2-(4-propylcyclohexyl)oxane?
The InChIKey is JRGYXJCAFWQLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O/c1-3-5-20-12-15-23(16-13-20)24-17-14-22(18-25-24)11-10-21-8-6-19(4-2)7-9-21/h10-11,19-24H,3-9,12-18H2,1-2H3.
What are the key properties of 5-[2-(4-ethylcyclohexyl)ethenyl]-2-(4-propylcyclohexyl)oxane?
5-[2-(4-ethylcyclohexyl)ethenyl]-2-(4-propylcyclohexyl)oxane has a molecular weight of 346.60 g/mol, XLogP of 7.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-ethylcyclohexyl)ethenyl]-2-(4-propylcyclohexyl)oxane is sourced from PubChem (CID 76840358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).