2-[4-[2-[4-(cyclohexyloxymethoxy)cyclohexyl]ethyl]cyclohexyl]ethylbenzene

C29H46O2 — CID 20724099

IUPAC2-[4-[2-[4-(cyclohexyloxymethoxy)cyclohexyl]ethyl]cyclohexyl]ethylbenzene
SMILESc1ccc(CCC2CCC(CCC3CCC(OCOC4CCCCC4)CC3)CC2)cc1
InChIInChI=1S/C29H46O2/c1-3-7-24(8-4-1)11-12-25-13-15-26(16-14-25)17-18-27-19-21-29(22-20-27)31-23-30-28-9-5-2-6-10-28/h1,3-4,7-8,25-29H,2,5-6,9-23H2
InChIKeyLMYVWJZTIRHISP-UHFFFAOYSA-N
MW426.69 g/mol
LogP8.09
Rot. Bonds10

About 2-[4-[2-[4-(cyclohexyloxymethoxy)cyclohexyl]ethyl]cyclohexyl]ethylbenzene

2-[4-[2-[4-(cyclohexyloxymethoxy)cyclohexyl]ethyl]cyclohexyl]ethylbenzene (PubChem CID 20724099) has the molecular formula C29H46O2 and a molecular weight of 426.69 g/mol. Its IUPAC name is 2-[4-[2-[4-(cyclohexyloxymethoxy)cyclohexyl]ethyl]cyclohexyl]ethylbenzene.

Molecular Properties

Compound Name2-[4-[2-[4-(cyclohexyloxymethoxy)cyclohexyl]ethyl]cyclohexyl]ethylbenzene
PubChem CID20724099
Molecular FormulaC29H46O2
Molecular Weight426.69 g/mol
Exact Mass426.35
IUPAC Name2-[4-[2-[4-(cyclohexyloxymethoxy)cyclohexyl]ethyl]cyclohexyl]ethylbenzene
SMILESc1ccc(CCC2CCC(CCC3CCC(OCOC4CCCCC4)CC3)CC2)cc1
InChIInChI=1S/C29H46O2/c1-3-7-24(8-4-1)11-12-25-13-15-26(16-14-25)17-18-27-19-21-29(22-20-27)31-23-30-28-9-5-2-6-10-28/h1,3-4,7-8,25-29H,2,5-6,9-23H2
InChIKeyLMYVWJZTIRHISP-UHFFFAOYSA-N
XLogP8.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.69
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-[4-(2-cyclohexylethyl)cyclohexyl]ethyl]-4-(2-phenylethyl)benzene
CID 20724010
2-phenylethylcyclooctane
CID 54073487
[4-[2-[4-(cyclohexyloxymethoxy)cyclohexyl]ethyl]cyclohexyl] benzoate
CID 20724189
1-[2-[4-(phenoxymethoxy)cyclohexyl]ethyl]-4-(2-phenylethynyl)benzene
CID 20724029
2-cyclobutyloxyethylbenzene
CID 54003575
4-(2-phenylethyl)cyclohexan-1-one
CID 18980498
5-cyclopropylpentylbenzene
CID 91089836
azane;cyclopentyloxymethylbenzene
CID 69411306
2-(4-butylcyclohexyl)ethylbenzene
CID 19899703
(4-propylcyclohexyl)oxymethylbenzene
CID 147199890
(5-cyclohexyl-3-methoxypentyl)benzene
CID 143381268
2-[4-(4-propylcyclohexyl)cyclohexyl]ethylbenzene
CID 22157204

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(cyclohexyloxymethoxy)cyclohexyl]ethyl]cyclohexyl]ethylbenzene?
The IUPAC name of 2-[4-[2-[4-(cyclohexyloxymethoxy)cyclohexyl]ethyl]cyclohexyl]ethylbenzene (CID 20724099) is 2-[4-[2-[4-(cyclohexyloxymethoxy)cyclohexyl]ethyl]cyclohexyl]ethylbenzene.
What is the SMILES notation for 2-[4-[2-[4-(cyclohexyloxymethoxy)cyclohexyl]ethyl]cyclohexyl]ethylbenzene?
The canonical SMILES for 2-[4-[2-[4-(cyclohexyloxymethoxy)cyclohexyl]ethyl]cyclohexyl]ethylbenzene is c1ccc(CCC2CCC(CCC3CCC(OCOC4CCCCC4)CC3)CC2)cc1.
What is the InChIKey of 2-[4-[2-[4-(cyclohexyloxymethoxy)cyclohexyl]ethyl]cyclohexyl]ethylbenzene?
The InChIKey is LMYVWJZTIRHISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H46O2/c1-3-7-24(8-4-1)11-12-25-13-15-26(16-14-25)17-18-27-19-21-29(22-20-27)31-23-30-28-9-5-2-6-10-28/h1,3-4,7-8,25-29H,2,5-6,9-23H2.
What are the key properties of 2-[4-[2-[4-(cyclohexyloxymethoxy)cyclohexyl]ethyl]cyclohexyl]ethylbenzene?
2-[4-[2-[4-(cyclohexyloxymethoxy)cyclohexyl]ethyl]cyclohexyl]ethylbenzene has a molecular weight of 426.69 g/mol, XLogP of 8.09, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(cyclohexyloxymethoxy)cyclohexyl]ethyl]cyclohexyl]ethylbenzene is sourced from PubChem (CID 20724099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).