1-(cyclohexyloxymethoxy)-4-(2-methylbutan-2-yl)benzene

C18H28O2 — CID 89114083

IUPAC1-(cyclohexyloxymethoxy)-4-(2-methylbutan-2-yl)benzene
SMILESCCC(C)(C)c1ccc(OCOC2CCCCC2)cc1
InChIInChI=1S/C18H28O2/c1-4-18(2,3)15-10-12-17(13-11-15)20-14-19-16-8-6-5-7-9-16/h10-13,16H,4-9,14H2,1-3H3
InChIKeyGDLKREBOZWXUEW-UHFFFAOYSA-N
MW276.42 g/mol
LogP5.06
Rot. Bonds6

About 1-(cyclohexyloxymethoxy)-4-(2-methylbutan-2-yl)benzene

1-(cyclohexyloxymethoxy)-4-(2-methylbutan-2-yl)benzene (PubChem CID 89114083) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(cyclohexyloxymethoxy)-4-(2-methylbutan-2-yl)benzene.

Molecular Properties

Compound Name1-(cyclohexyloxymethoxy)-4-(2-methylbutan-2-yl)benzene
PubChem CID89114083
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name1-(cyclohexyloxymethoxy)-4-(2-methylbutan-2-yl)benzene
SMILESCCC(C)(C)c1ccc(OCOC2CCCCC2)cc1
InChIInChI=1S/C18H28O2/c1-4-18(2,3)15-10-12-17(13-11-15)20-14-19-16-8-6-5-7-9-16/h10-13,16H,4-9,14H2,1-3H3
InChIKeyGDLKREBOZWXUEW-UHFFFAOYSA-N
XLogP5.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.42
LogP ≤ 55.06
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-cyclopentyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol
CID 103160587
2-(cyclohexyloxymethoxy)-6-ethylnaphthalene
CID 140648576
[2-[4-(2-methylbutan-2-yl)phenoxy]cyclohexyl]methanamine
CID 43293934
3-[4-(2-methylbutan-2-yl)phenoxy]piperidine;hydrochloride
CID 56831129
cyclohexyl-[(2R)-2-hydroxy-3-[4-(2-methylbutan-2-yl)phenoxy]propyl]-methylazanium
CID 2359529
1-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]piperidine
CID 70865812
2-[4-(2-methylbutan-2-yl)phenoxy]cyclopentan-1-amine
CID 43100661
2,6-dimethyl-1-[3-[4-(2-methylbutan-2-yl)phenoxy]propyl]piperidine
CID 155520534
1-(6-bromohexoxy)-4-(2-methylbutan-2-yl)benzene
CID 154085988
1-tert-butyl-4-cyclohexyloxybenzene
CID 10466491
1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
CID 16786972
5-[4-(2-methylbutan-2-yl)phenoxy]-N-propan-2-ylpentan-1-amine
CID 63498583

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexyloxymethoxy)-4-(2-methylbutan-2-yl)benzene?
The IUPAC name of 1-(cyclohexyloxymethoxy)-4-(2-methylbutan-2-yl)benzene (CID 89114083) is 1-(cyclohexyloxymethoxy)-4-(2-methylbutan-2-yl)benzene.
What is the SMILES notation for 1-(cyclohexyloxymethoxy)-4-(2-methylbutan-2-yl)benzene?
The canonical SMILES for 1-(cyclohexyloxymethoxy)-4-(2-methylbutan-2-yl)benzene is CCC(C)(C)c1ccc(OCOC2CCCCC2)cc1.
What is the InChIKey of 1-(cyclohexyloxymethoxy)-4-(2-methylbutan-2-yl)benzene?
The InChIKey is GDLKREBOZWXUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-4-18(2,3)15-10-12-17(13-11-15)20-14-19-16-8-6-5-7-9-16/h10-13,16H,4-9,14H2,1-3H3.
What are the key properties of 1-(cyclohexyloxymethoxy)-4-(2-methylbutan-2-yl)benzene?
1-(cyclohexyloxymethoxy)-4-(2-methylbutan-2-yl)benzene has a molecular weight of 276.42 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexyloxymethoxy)-4-(2-methylbutan-2-yl)benzene is sourced from PubChem (CID 89114083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).