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

C24H40O2 — CID 89008539

IUPAC5-(oxiran-2-yl)-2-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane
SMILESCCCC1CCC(C2CCC(/C=C/C3CCC(C4CO4)CO3)CC2)CC1
InChIInChI=1S/C24H40O2/c1-2-3-18-4-9-20(10-5-18)21-11-6-19(7-12-21)8-14-23-15-13-22(16-25-23)24-17-26-24/h8,14,18-24H,2-7,9-13,15-17H2,1H3/b14-8+
InChIKeyBONBMXBLSXFBPF-RIYZIHGNSA-N
MW360.58 g/mol
LogP6.15
Rot. Bonds6

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

5-(oxiran-2-yl)-2-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane (PubChem CID 89008539) has the molecular formula C24H40O2 and a molecular weight of 360.58 g/mol. Its IUPAC name is 5-(oxiran-2-yl)-2-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane.

Molecular Properties

Compound Name5-(oxiran-2-yl)-2-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane
PubChem CID89008539
Molecular FormulaC24H40O2
Molecular Weight360.58 g/mol
Exact Mass360.30
IUPAC Name5-(oxiran-2-yl)-2-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane
SMILESCCCC1CCC(C2CCC(/C=C/C3CCC(C4CO4)CO3)CC2)CC1
InChIInChI=1S/C24H40O2/c1-2-3-18-4-9-20(10-5-18)21-11-6-19(7-12-21)8-14-23-15-13-22(16-25-23)24-17-26-24/h8,14,18-24H,2-7,9-13,15-17H2,1H3/b14-8+
InChIKeyBONBMXBLSXFBPF-RIYZIHGNSA-N
XLogP6.15
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.58
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4-ethenylcyclohexyl)-2-[2-(4-propylcyclohexyl)ethenyl]oxane
CID 76840318
2-ethenyl-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane
CID 76840317
2-[2-(4-ethenylcyclohexyl)ethenyl]-5-(4-pentylcyclohexyl)oxane
CID 76840289
5-[2-(4-ethylcyclohexyl)ethenyl]-2-(4-propylcyclohexyl)oxane
CID 76840358
[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-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]oxane
CID 76840292
1-methyl-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane
CID 143239770
1-(4-fluorobut-1-enyl)-4-(4-propylcyclohexyl)cyclohexane
CID 54464983
1-[(1E)-buta-1,3-dienyl]-4-(4-propylcyclohexyl)cyclohexane
CID 22915763
1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethenyl]cyclohexane;bis(2-methyl-5-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(5-methyl-2-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(2-methyl-5-(4-methylcyclohexyl)oxane);bis(5-methyl-2-(4-methylcyclohexyl)oxane)
CID 162191451
2-[4-[4-[(E)-2-[4-[difluoro(trifluoromethoxy)methyl]cyclohexyl]ethenyl]cyclohexyl]cyclohexyl]-5-propyl-1,3-dioxane
CID 90180120

Frequently Asked Questions

What is the IUPAC name of 5-(oxiran-2-yl)-2-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane?
The IUPAC name of 5-(oxiran-2-yl)-2-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane (CID 89008539) is 5-(oxiran-2-yl)-2-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane.
What is the SMILES notation for 5-(oxiran-2-yl)-2-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane?
The canonical SMILES for 5-(oxiran-2-yl)-2-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane is CCCC1CCC(C2CCC(/C=C/C3CCC(C4CO4)CO3)CC2)CC1.
What is the InChIKey of 5-(oxiran-2-yl)-2-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane?
The InChIKey is BONBMXBLSXFBPF-RIYZIHGNSA-N. The full InChI is InChI=1S/C24H40O2/c1-2-3-18-4-9-20(10-5-18)21-11-6-19(7-12-21)8-14-23-15-13-22(16-25-23)24-17-26-24/h8,14,18-24H,2-7,9-13,15-17H2,1H3/b14-8+.
What are the key properties of 5-(oxiran-2-yl)-2-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane?
5-(oxiran-2-yl)-2-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane has a molecular weight of 360.58 g/mol, XLogP of 6.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxiran-2-yl)-2-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane is sourced from PubChem (CID 89008539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).