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

C23H42O2 — CID 58620448

IUPAC5-(4-methoxycyclohexyl)-2-[2-(4-propylcyclohexyl)ethyl]oxane
SMILESCCCC1CCC(CCC2CCC(C3CCC(OC)CC3)CO2)CC1
InChIInChI=1S/C23H42O2/c1-3-4-18-5-7-19(8-6-18)9-13-23-16-12-21(17-25-23)20-10-14-22(24-2)15-11-20/h18-23H,3-17H2,1-2H3
InChIKeyQIMHWSOKAMVGLM-UHFFFAOYSA-N
MW350.59 g/mol
LogP6.37
Rot. Bonds7

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

5-(4-methoxycyclohexyl)-2-[2-(4-propylcyclohexyl)ethyl]oxane (PubChem CID 58620448) has the molecular formula C23H42O2 and a molecular weight of 350.59 g/mol. Its IUPAC name is 5-(4-methoxycyclohexyl)-2-[2-(4-propylcyclohexyl)ethyl]oxane.

Molecular Properties

Compound Name5-(4-methoxycyclohexyl)-2-[2-(4-propylcyclohexyl)ethyl]oxane
PubChem CID58620448
Molecular FormulaC23H42O2
Molecular Weight350.59 g/mol
Exact Mass350.32
IUPAC Name5-(4-methoxycyclohexyl)-2-[2-(4-propylcyclohexyl)ethyl]oxane
SMILESCCCC1CCC(CCC2CCC(C3CCC(OC)CC3)CO2)CC1
InChIInChI=1S/C23H42O2/c1-3-4-18-5-7-19(8-6-18)9-13-23-16-12-21(17-25-23)20-10-14-22(24-2)15-11-20/h18-23H,3-17H2,1-2H3
InChIKeyQIMHWSOKAMVGLM-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 5-(4-methoxycyclohexyl)-2-[2-(4-propylcyclohexyl)ethyl]oxane with MolForge

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Related Compounds

[4-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]cyclohexyl]methanol
CID 70829322
2-(4-methoxycyclohexyl)-5-[2-(4-propylcyclohexyl)ethyl]oxane
CID 58620720
2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]oxane
CID 58620462
5-(4-methoxycyclohexyl)-2-[2-(4-propylphenyl)ethyl]oxane
CID 58620522
2-[[4-(4-propylcyclohexyl)cyclohexyl]oxymethyl]oxirane
CID 58895347
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
2,5-dipropyloxane
CID 118909754
2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-pentyloxane
CID 58620696
5-[4-[2-(4-methoxycyclohexyl)ethyl]phenyl]-2-propyloxane
CID 58620495
5-(4-methoxycyclohexyl)-2-propyloxane;4,5,6-trifluoro-7-propyl-9H-xanthene-3-carbaldehyde
CID 144734076
1-butyl-4-(4-methoxycyclohexyl)-2-[5-(4-methoxycyclohexyl)-2-propylcyclohexyl]cyclohexane
CID 134482218
1-(4-ethoxy-3-fluoro-2-methylphenyl)-2-[5-(4-propylcyclohexyl)oxan-2-yl]ethanone
CID 118283724

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxycyclohexyl)-2-[2-(4-propylcyclohexyl)ethyl]oxane?
The IUPAC name of 5-(4-methoxycyclohexyl)-2-[2-(4-propylcyclohexyl)ethyl]oxane (CID 58620448) is 5-(4-methoxycyclohexyl)-2-[2-(4-propylcyclohexyl)ethyl]oxane.
What is the SMILES notation for 5-(4-methoxycyclohexyl)-2-[2-(4-propylcyclohexyl)ethyl]oxane?
The canonical SMILES for 5-(4-methoxycyclohexyl)-2-[2-(4-propylcyclohexyl)ethyl]oxane is CCCC1CCC(CCC2CCC(C3CCC(OC)CC3)CO2)CC1.
What is the InChIKey of 5-(4-methoxycyclohexyl)-2-[2-(4-propylcyclohexyl)ethyl]oxane?
The InChIKey is QIMHWSOKAMVGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O2/c1-3-4-18-5-7-19(8-6-18)9-13-23-16-12-21(17-25-23)20-10-14-22(24-2)15-11-20/h18-23H,3-17H2,1-2H3.
What are the key properties of 5-(4-methoxycyclohexyl)-2-[2-(4-propylcyclohexyl)ethyl]oxane?
5-(4-methoxycyclohexyl)-2-[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 5-(4-methoxycyclohexyl)-2-[2-(4-propylcyclohexyl)ethyl]oxane is sourced from PubChem (CID 58620448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).