1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene

C26H44O2 — CID 123324499

IUPAC1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
SMILESCC(C)C(Oc1ccc(C(CC(C)(C)C)C(C)(C)C)cc1)OC1CCCCC1
InChIInChI=1S/C26H44O2/c1-19(2)24(27-21-12-10-9-11-13-21)28-22-16-14-20(15-17-22)23(26(6,7)8)18-25(3,4)5/h14-17,19,21,23-24H,9-13,18H2,1-8H3
InChIKeyHVLDKSSNYZTSPQ-UHFFFAOYSA-N
MW388.64 g/mol
LogP7.96
Rot. Bonds7

About 1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene

1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene (PubChem CID 123324499) has the molecular formula C26H44O2 and a molecular weight of 388.64 g/mol. Its IUPAC name is 1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene.

Molecular Properties

Compound Name1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
PubChem CID123324499
Molecular FormulaC26H44O2
Molecular Weight388.64 g/mol
Exact Mass388.33
IUPAC Name1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
SMILESCC(C)C(Oc1ccc(C(CC(C)(C)C)C(C)(C)C)cc1)OC1CCCCC1
InChIInChI=1S/C26H44O2/c1-19(2)24(27-21-12-10-9-11-13-21)28-22-16-14-20(15-17-22)23(26(6,7)8)18-25(3,4)5/h14-17,19,21,23-24H,9-13,18H2,1-8H3
InChIKeyHVLDKSSNYZTSPQ-UHFFFAOYSA-N
XLogP7.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.64
LogP ≤ 57.96
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-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene
CID 123735194
1-[cyclohexyloxy-(1-ethylcyclohexyl)methoxy]-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 123863336
4-[9-[4-(1-cyclohexyloxy-2,2-dimethylpropoxy)phenyl]-2,2,5,5,7,7,10,10-octamethylundecan-4-yl]phenol
CID 123612032
2-(2-cyclohexyl-1-cyclohexyloxyethoxy)-5-(2,2,5,5-tetramethylhexan-3-yl)phenol
CID 123370293
1-(1-phenylethoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 91223677
1-[(1-methylcyclohexyl)-propan-2-yloxymethoxy]-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 123451999
1-methoxy-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 67966968
1-(1-cyclohexyloxyethoxy)-3-(2,2-dimethylpentan-3-yl)benzene
CID 123335154
1-[2-cyclohexylethoxy-[4-(2,2,5,5-tetramethylhexan-3-yl)phenoxy]methyl]adamantane
CID 123755292
(1-cyclohexyloxy-2-methylpropoxy)cyclohexane
CID 20788615
1-(1-cyclohexyloxyethoxy)-4-[2-[4-(1-cyclohexyloxyethoxy)phenyl]propan-2-yl]benzene
CID 22726294
[4-(2,2,5,5-tetramethylhexan-3-yl)phenoxy]-(1-tricyclo[4.3.1.13,8]undecanyl)methanol
CID 123635954

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene?
The IUPAC name of 1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene (CID 123324499) is 1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene.
What is the SMILES notation for 1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene?
The canonical SMILES for 1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene is CC(C)C(Oc1ccc(C(CC(C)(C)C)C(C)(C)C)cc1)OC1CCCCC1.
What is the InChIKey of 1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene?
The InChIKey is HVLDKSSNYZTSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44O2/c1-19(2)24(27-21-12-10-9-11-13-21)28-22-16-14-20(15-17-22)23(26(6,7)8)18-25(3,4)5/h14-17,19,21,23-24H,9-13,18H2,1-8H3.
What are the key properties of 1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene?
1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene has a molecular weight of 388.64 g/mol, XLogP of 7.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene is sourced from PubChem (CID 123324499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).