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

C24H40O2 — CID 89125613

IUPAC5-[4-(oxiran-2-yl)cyclohexyl]-2-[(E)-2-(4-propylcyclohexyl)ethenyl]oxane
SMILESCCCC1CCC(/C=C/C2CCC(C3CCC(C4CO4)CC3)CO2)CC1
InChIInChI=1S/C24H40O2/c1-2-3-18-4-6-19(7-5-18)8-14-23-15-13-22(16-25-23)20-9-11-21(12-10-20)24-17-26-24/h8,14,18-24H,2-7,9-13,15-17H2,1H3/b14-8+
InChIKeyQOBSAKZCTVSZLN-RIYZIHGNSA-N
MW360.58 g/mol
LogP6.15
Rot. Bonds6

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

5-[4-(oxiran-2-yl)cyclohexyl]-2-[(E)-2-(4-propylcyclohexyl)ethenyl]oxane (PubChem CID 89125613) has the molecular formula C24H40O2 and a molecular weight of 360.58 g/mol. Its IUPAC name is 5-[4-(oxiran-2-yl)cyclohexyl]-2-[(E)-2-(4-propylcyclohexyl)ethenyl]oxane.

Molecular Properties

Compound Name5-[4-(oxiran-2-yl)cyclohexyl]-2-[(E)-2-(4-propylcyclohexyl)ethenyl]oxane
PubChem CID89125613
Molecular FormulaC24H40O2
Molecular Weight360.58 g/mol
Exact Mass360.30
IUPAC Name5-[4-(oxiran-2-yl)cyclohexyl]-2-[(E)-2-(4-propylcyclohexyl)ethenyl]oxane
SMILESCCCC1CCC(/C=C/C2CCC(C3CCC(C4CO4)CC3)CO2)CC1
InChIInChI=1S/C24H40O2/c1-2-3-18-4-6-19(7-5-18)8-14-23-15-13-22(16-25-23)20-9-11-21(12-10-20)24-17-26-24/h8,14,18-24H,2-7,9-13,15-17H2,1H3/b14-8+
InChIKeyQOBSAKZCTVSZLN-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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Frequently Asked Questions

What is the IUPAC name of 5-[4-(oxiran-2-yl)cyclohexyl]-2-[(E)-2-(4-propylcyclohexyl)ethenyl]oxane?
The IUPAC name of 5-[4-(oxiran-2-yl)cyclohexyl]-2-[(E)-2-(4-propylcyclohexyl)ethenyl]oxane (CID 89125613) is 5-[4-(oxiran-2-yl)cyclohexyl]-2-[(E)-2-(4-propylcyclohexyl)ethenyl]oxane.
What is the SMILES notation for 5-[4-(oxiran-2-yl)cyclohexyl]-2-[(E)-2-(4-propylcyclohexyl)ethenyl]oxane?
The canonical SMILES for 5-[4-(oxiran-2-yl)cyclohexyl]-2-[(E)-2-(4-propylcyclohexyl)ethenyl]oxane is CCCC1CCC(/C=C/C2CCC(C3CCC(C4CO4)CC3)CO2)CC1.
What is the InChIKey of 5-[4-(oxiran-2-yl)cyclohexyl]-2-[(E)-2-(4-propylcyclohexyl)ethenyl]oxane?
The InChIKey is QOBSAKZCTVSZLN-RIYZIHGNSA-N. The full InChI is InChI=1S/C24H40O2/c1-2-3-18-4-6-19(7-5-18)8-14-23-15-13-22(16-25-23)20-9-11-21(12-10-20)24-17-26-24/h8,14,18-24H,2-7,9-13,15-17H2,1H3/b14-8+.
What are the key properties of 5-[4-(oxiran-2-yl)cyclohexyl]-2-[(E)-2-(4-propylcyclohexyl)ethenyl]oxane?
5-[4-(oxiran-2-yl)cyclohexyl]-2-[(E)-2-(4-propylcyclohexyl)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-[4-(oxiran-2-yl)cyclohexyl]-2-[(E)-2-(4-propylcyclohexyl)ethenyl]oxane is sourced from PubChem (CID 89125613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).