1-[[4-(4-ethoxycyclohexyl)cyclohexyl]oxymethyl]-3,5-dimethylbenzene

C23H36O2 — CID 67122268

IUPAC1-[[4-(4-ethoxycyclohexyl)cyclohexyl]oxymethyl]-3,5-dimethylbenzene
SMILESCCOC1CCC(C2CCC(OCc3cc(C)cc(C)c3)CC2)CC1
InChIInChI=1S/C23H36O2/c1-4-24-22-9-5-20(6-10-22)21-7-11-23(12-8-21)25-16-19-14-17(2)13-18(3)15-19/h13-15,20-23H,4-12,16H2,1-3H3
InChIKeyJBQMUFSRZVLOMI-UHFFFAOYSA-N
MW344.54 g/mol
LogP5.97
Rot. Bonds6

About 1-[[4-(4-ethoxycyclohexyl)cyclohexyl]oxymethyl]-3,5-dimethylbenzene

1-[[4-(4-ethoxycyclohexyl)cyclohexyl]oxymethyl]-3,5-dimethylbenzene (PubChem CID 67122268) has the molecular formula C23H36O2 and a molecular weight of 344.54 g/mol. Its IUPAC name is 1-[[4-(4-ethoxycyclohexyl)cyclohexyl]oxymethyl]-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-[[4-(4-ethoxycyclohexyl)cyclohexyl]oxymethyl]-3,5-dimethylbenzene
PubChem CID67122268
Molecular FormulaC23H36O2
Molecular Weight344.54 g/mol
Exact Mass344.27
IUPAC Name1-[[4-(4-ethoxycyclohexyl)cyclohexyl]oxymethyl]-3,5-dimethylbenzene
SMILESCCOC1CCC(C2CCC(OCc3cc(C)cc(C)c3)CC2)CC1
InChIInChI=1S/C23H36O2/c1-4-24-22-9-5-20(6-10-22)21-7-11-23(12-8-21)25-16-19-14-17(2)13-18(3)15-19/h13-15,20-23H,4-12,16H2,1-3H3
InChIKeyJBQMUFSRZVLOMI-UHFFFAOYSA-N
XLogP5.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.54
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-ethoxycyclohexyl)cyclohexyl]oxymethyl]-3,5-dimethylbenzene?
The IUPAC name of 1-[[4-(4-ethoxycyclohexyl)cyclohexyl]oxymethyl]-3,5-dimethylbenzene (CID 67122268) is 1-[[4-(4-ethoxycyclohexyl)cyclohexyl]oxymethyl]-3,5-dimethylbenzene.
What is the SMILES notation for 1-[[4-(4-ethoxycyclohexyl)cyclohexyl]oxymethyl]-3,5-dimethylbenzene?
The canonical SMILES for 1-[[4-(4-ethoxycyclohexyl)cyclohexyl]oxymethyl]-3,5-dimethylbenzene is CCOC1CCC(C2CCC(OCc3cc(C)cc(C)c3)CC2)CC1.
What is the InChIKey of 1-[[4-(4-ethoxycyclohexyl)cyclohexyl]oxymethyl]-3,5-dimethylbenzene?
The InChIKey is JBQMUFSRZVLOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O2/c1-4-24-22-9-5-20(6-10-22)21-7-11-23(12-8-21)25-16-19-14-17(2)13-18(3)15-19/h13-15,20-23H,4-12,16H2,1-3H3.
What are the key properties of 1-[[4-(4-ethoxycyclohexyl)cyclohexyl]oxymethyl]-3,5-dimethylbenzene?
1-[[4-(4-ethoxycyclohexyl)cyclohexyl]oxymethyl]-3,5-dimethylbenzene has a molecular weight of 344.54 g/mol, XLogP of 5.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-ethoxycyclohexyl)cyclohexyl]oxymethyl]-3,5-dimethylbenzene is sourced from PubChem (CID 67122268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).