2-(4-methoxycyclohexyl)-5-[2-(4-propylcyclohexyl)ethyl]oxane

C23H42O2 — CID 58620720

IUPAC2-(4-methoxycyclohexyl)-5-[2-(4-propylcyclohexyl)ethyl]oxane
SMILESCCCC1CCC(CCC2CCC(C3CCC(OC)CC3)OC2)CC1
InChIInChI=1S/C23H42O2/c1-3-4-18-5-7-19(8-6-18)9-10-20-11-16-23(25-17-20)21-12-14-22(24-2)15-13-21/h18-23H,3-17H2,1-2H3
InChIKeyCUANNTAIBVAUEU-UHFFFAOYSA-N
MW350.59 g/mol
LogP6.37
Rot. Bonds7

About 2-(4-methoxycyclohexyl)-5-[2-(4-propylcyclohexyl)ethyl]oxane

2-(4-methoxycyclohexyl)-5-[2-(4-propylcyclohexyl)ethyl]oxane (PubChem CID 58620720) has the molecular formula C23H42O2 and a molecular weight of 350.59 g/mol. Its IUPAC name is 2-(4-methoxycyclohexyl)-5-[2-(4-propylcyclohexyl)ethyl]oxane.

Molecular Properties

Compound Name2-(4-methoxycyclohexyl)-5-[2-(4-propylcyclohexyl)ethyl]oxane
PubChem CID58620720
Molecular FormulaC23H42O2
Molecular Weight350.59 g/mol
Exact Mass350.32
IUPAC Name2-(4-methoxycyclohexyl)-5-[2-(4-propylcyclohexyl)ethyl]oxane
SMILESCCCC1CCC(CCC2CCC(C3CCC(OC)CC3)OC2)CC1
InChIInChI=1S/C23H42O2/c1-3-4-18-5-7-19(8-6-18)9-10-20-11-16-23(25-17-20)21-12-14-22(24-2)15-13-21/h18-23H,3-17H2,1-2H3
InChIKeyCUANNTAIBVAUEU-UHFFFAOYSA-N
XLogP6.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.59
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-methoxycyclohexyl)-5-[2-(4-propylcyclohexyl)ethyl]oxane with MolForge

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Related Compounds

5-(4-methoxycyclohexyl)-2-[2-(4-propylcyclohexyl)ethyl]oxane
CID 58620448
(2R,5S)-5-propyl-2-[4-(trifluoromethyl)cyclohexyl]oxane
CID 102407968
[4-(5-propyloxan-2-yl)cyclohexyl]boronic acid
CID 140501060
5-ethoxy-2-(4-pentylcyclohexyl)oxane
CID 58620552
2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-propyloxane
CID 20599558
[4-[2-[4-(5-propyloxan-2-yl)cyclohexyl]ethyl]phenyl]methanol
CID 70829402
[4-[5-[(E)-2-(4-propylcyclohexyl)ethenyl]oxan-2-yl]cyclohexyl]methanol
CID 70829400
5-[2-(4-ethylcyclohexyl)ethenyl]-2-(4-propylcyclohexyl)oxane
CID 76840358
2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]oxane
CID 58620462
1-methoxy-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane
CID 160936344
[4-(5-pentyloxan-2-yl)cyclohexyl] 3-hydroxy-2,2-dimethylpropanoate
CID 166645711
2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-5-propyloxane
CID 126501483

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxycyclohexyl)-5-[2-(4-propylcyclohexyl)ethyl]oxane?
The IUPAC name of 2-(4-methoxycyclohexyl)-5-[2-(4-propylcyclohexyl)ethyl]oxane (CID 58620720) is 2-(4-methoxycyclohexyl)-5-[2-(4-propylcyclohexyl)ethyl]oxane.
What is the SMILES notation for 2-(4-methoxycyclohexyl)-5-[2-(4-propylcyclohexyl)ethyl]oxane?
The canonical SMILES for 2-(4-methoxycyclohexyl)-5-[2-(4-propylcyclohexyl)ethyl]oxane is CCCC1CCC(CCC2CCC(C3CCC(OC)CC3)OC2)CC1.
What is the InChIKey of 2-(4-methoxycyclohexyl)-5-[2-(4-propylcyclohexyl)ethyl]oxane?
The InChIKey is CUANNTAIBVAUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O2/c1-3-4-18-5-7-19(8-6-18)9-10-20-11-16-23(25-17-20)21-12-14-22(24-2)15-13-21/h18-23H,3-17H2,1-2H3.
What are the key properties of 2-(4-methoxycyclohexyl)-5-[2-(4-propylcyclohexyl)ethyl]oxane?
2-(4-methoxycyclohexyl)-5-[2-(4-propylcyclohexyl)ethyl]oxane has a molecular weight of 350.59 g/mol, XLogP of 6.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxycyclohexyl)-5-[2-(4-propylcyclohexyl)ethyl]oxane is sourced from PubChem (CID 58620720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).