5-(oxiran-2-yl)-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]oxane

C24H36O2 — CID 89008540

IUPAC5-(oxiran-2-yl)-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]oxane
SMILESCCCC1CCC(c2ccc(CCC3CCC(C4CO4)CO3)cc2)CC1
InChIInChI=1S/C24H36O2/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/h6-7,11-12,18,20,22-24H,2-5,8-10,13-17H2,1H3
InChIKeyLQDVUQPKUJVDEG-UHFFFAOYSA-N
MW356.55 g/mol
LogP5.89
Rot. Bonds7

About 5-(oxiran-2-yl)-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]oxane

5-(oxiran-2-yl)-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]oxane (PubChem CID 89008540) has the molecular formula C24H36O2 and a molecular weight of 356.55 g/mol. Its IUPAC name is 5-(oxiran-2-yl)-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]oxane.

Molecular Properties

Compound Name5-(oxiran-2-yl)-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]oxane
PubChem CID89008540
Molecular FormulaC24H36O2
Molecular Weight356.55 g/mol
Exact Mass356.27
IUPAC Name5-(oxiran-2-yl)-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]oxane
SMILESCCCC1CCC(c2ccc(CCC3CCC(C4CO4)CO3)cc2)CC1
InChIInChI=1S/C24H36O2/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/h6-7,11-12,18,20,22-24H,2-5,8-10,13-17H2,1H3
InChIKeyLQDVUQPKUJVDEG-UHFFFAOYSA-N
XLogP5.89
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[2-(4-methoxycyclohexyl)ethyl]phenyl]-2-propyloxane
CID 58620495
2-[4-(4-propylcyclohexyl)phenyl]-5-(4-propylphenyl)-1,3-dioxane
CID 70410242
1-nonyl-4-(4-propylcyclohexyl)benzene
CID 20683431
2-[2-[4-(4-methoxycyclohexyl)phenyl]ethyl]-5-methyloxane
CID 143210105
2-butyl-5-(4-propylphenyl)oxane
CID 21247595
[4-[2-[4-(5-propyloxan-2-yl)cyclohexyl]ethyl]phenyl]methanol
CID 70829402
5-(4-propylcyclohexyl)-2-[4-(4-propylphenyl)phenyl]-1,3-dioxane
CID 70408940
1-methyl-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]methyl]benzene
CID 58932728
1-(4-ethylcyclohexyl)-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene
CID 54218031
2-heptyl-5-(4-heptylphenyl)oxane
CID 21247540
2-heptyl-5-(4-octylphenyl)oxane
CID 21247893
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372

Frequently Asked Questions

What is the IUPAC name of 5-(oxiran-2-yl)-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]oxane?
The IUPAC name of 5-(oxiran-2-yl)-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]oxane (CID 89008540) is 5-(oxiran-2-yl)-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]oxane.
What is the SMILES notation for 5-(oxiran-2-yl)-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]oxane?
The canonical SMILES for 5-(oxiran-2-yl)-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]oxane is CCCC1CCC(c2ccc(CCC3CCC(C4CO4)CO3)cc2)CC1.
What is the InChIKey of 5-(oxiran-2-yl)-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]oxane?
The InChIKey is LQDVUQPKUJVDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O2/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/h6-7,11-12,18,20,22-24H,2-5,8-10,13-17H2,1H3.
What are the key properties of 5-(oxiran-2-yl)-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]oxane?
5-(oxiran-2-yl)-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]oxane has a molecular weight of 356.55 g/mol, XLogP of 5.89, 7 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-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]oxane is sourced from PubChem (CID 89008540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).