1-(2-cyclohexyl-1-ethoxyethoxy)-4-methylbenzene

C17H26O2 — CID 90367452

IUPAC1-(2-cyclohexyl-1-ethoxyethoxy)-4-methylbenzene
SMILESCCOC(CC1CCCCC1)Oc1ccc(C)cc1
InChIInChI=1S/C17H26O2/c1-3-18-17(13-15-7-5-4-6-8-15)19-16-11-9-14(2)10-12-16/h9-12,15,17H,3-8,13H2,1-2H3
InChIKeyRDBOBCYZDJCNIH-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.71
Rot. Bonds6

About 1-(2-cyclohexyl-1-ethoxyethoxy)-4-methylbenzene

1-(2-cyclohexyl-1-ethoxyethoxy)-4-methylbenzene (PubChem CID 90367452) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-(2-cyclohexyl-1-ethoxyethoxy)-4-methylbenzene.

Molecular Properties

Compound Name1-(2-cyclohexyl-1-ethoxyethoxy)-4-methylbenzene
PubChem CID90367452
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-(2-cyclohexyl-1-ethoxyethoxy)-4-methylbenzene
SMILESCCOC(CC1CCCCC1)Oc1ccc(C)cc1
InChIInChI=1S/C17H26O2/c1-3-18-17(13-15-7-5-4-6-8-15)19-16-11-9-14(2)10-12-16/h9-12,15,17H,3-8,13H2,1-2H3
InChIKeyRDBOBCYZDJCNIH-UHFFFAOYSA-N
XLogP4.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.71
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyl-1-ethoxyethoxy)-4-methylbenzene?
The IUPAC name of 1-(2-cyclohexyl-1-ethoxyethoxy)-4-methylbenzene (CID 90367452) is 1-(2-cyclohexyl-1-ethoxyethoxy)-4-methylbenzene.
What is the SMILES notation for 1-(2-cyclohexyl-1-ethoxyethoxy)-4-methylbenzene?
The canonical SMILES for 1-(2-cyclohexyl-1-ethoxyethoxy)-4-methylbenzene is CCOC(CC1CCCCC1)Oc1ccc(C)cc1.
What is the InChIKey of 1-(2-cyclohexyl-1-ethoxyethoxy)-4-methylbenzene?
The InChIKey is RDBOBCYZDJCNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-3-18-17(13-15-7-5-4-6-8-15)19-16-11-9-14(2)10-12-16/h9-12,15,17H,3-8,13H2,1-2H3.
What are the key properties of 1-(2-cyclohexyl-1-ethoxyethoxy)-4-methylbenzene?
1-(2-cyclohexyl-1-ethoxyethoxy)-4-methylbenzene has a molecular weight of 262.39 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyl-1-ethoxyethoxy)-4-methylbenzene is sourced from PubChem (CID 90367452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).