1-[2-(1-cyclohexylcyclohexyl)-1-[(2-methylpropan-2-yl)oxy]ethoxy]-4-(2,2,5,5-tetramethylheptan-4-yl)benzene

C35H60O2 — CID 123971759

IUPAC1-[2-(1-cyclohexylcyclohexyl)-1-[(2-methylpropan-2-yl)oxy]ethoxy]-4-(2,2,5,5-tetramethylheptan-4-yl)benzene
SMILESCCC(C)(C)C(CC(C)(C)C)c1ccc(OC(CC2(C3CCCCC3)CCCCC2)OC(C)(C)C)cc1
InChIInChI=1S/C35H60O2/c1-10-34(8,9)30(25-32(2,3)4)27-19-21-29(22-20-27)36-31(37-33(5,6)7)26-35(23-15-12-16-24-35)28-17-13-11-14-18-28/h19-22,28,30-31H,10-18,23-26H2,1-9H3
InChIKeyVVIOCRKPIBRNJS-UHFFFAOYSA-N
MW512.86 g/mol
LogP11.08
Rot. Bonds10

About 1-[2-(1-cyclohexylcyclohexyl)-1-[(2-methylpropan-2-yl)oxy]ethoxy]-4-(2,2,5,5-tetramethylheptan-4-yl)benzene

1-[2-(1-cyclohexylcyclohexyl)-1-[(2-methylpropan-2-yl)oxy]ethoxy]-4-(2,2,5,5-tetramethylheptan-4-yl)benzene (PubChem CID 123971759) has the molecular formula C35H60O2 and a molecular weight of 512.86 g/mol. Its IUPAC name is 1-[2-(1-cyclohexylcyclohexyl)-1-[(2-methylpropan-2-yl)oxy]ethoxy]-4-(2,2,5,5-tetramethylheptan-4-yl)benzene.

Molecular Properties

Compound Name1-[2-(1-cyclohexylcyclohexyl)-1-[(2-methylpropan-2-yl)oxy]ethoxy]-4-(2,2,5,5-tetramethylheptan-4-yl)benzene
PubChem CID123971759
Molecular FormulaC35H60O2
Molecular Weight512.86 g/mol
Exact Mass512.46
IUPAC Name1-[2-(1-cyclohexylcyclohexyl)-1-[(2-methylpropan-2-yl)oxy]ethoxy]-4-(2,2,5,5-tetramethylheptan-4-yl)benzene
SMILESCCC(C)(C)C(CC(C)(C)C)c1ccc(OC(CC2(C3CCCCC3)CCCCC2)OC(C)(C)C)cc1
InChIInChI=1S/C35H60O2/c1-10-34(8,9)30(25-32(2,3)4)27-19-21-29(22-20-27)36-31(37-33(5,6)7)26-35(23-15-12-16-24-35)28-17-13-11-14-18-28/h19-22,28,30-31H,10-18,23-26H2,1-9H3
InChIKeyVVIOCRKPIBRNJS-UHFFFAOYSA-N
XLogP11.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.86
LogP ≤ 511.08
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-[cyclohexyloxy-(1-ethylcyclohexyl)methoxy]-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 123863336
1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 123324499
1-[(1-methylcyclohexyl)-propan-2-yloxymethoxy]-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 123451999
4-[9-[4-(1-cyclohexyloxy-2,2-dimethylpropoxy)phenyl]-2,2,5,5,7,7,10,10-octamethylundecan-4-yl]phenol
CID 123612032
1-(3,3-dicyclohexyl-1-propan-2-yloxypropoxy)-4-(2,2,5-trimethylhexan-3-yl)benzene
CID 123388037
2-[4-(4,4-dimethylhexan-3-yl)phenoxy]oxane
CID 123479898
1-[2-cyclohexylethoxy-[4-(2,2,5,5-tetramethylhexan-3-yl)phenoxy]methyl]adamantane
CID 123755292
1-methoxyethyl 4-(2,2,5,5-tetramethylheptan-4-yl)benzoate
CID 123886025
1-[3,3-dimethyl-1-(2,4,6-trimethylcyclohexyl)oxybutoxy]-4-(2,2,5-trimethylhexan-3-yl)benzene
CID 123233064
1-methoxy-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 67966968
1-[4-[3,3-dicyclohexyl-1-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]-3-methylbutan-2-one
CID 140653868
(1,1,1-trifluoro-4,4-dimethylhexan-3-yl)benzene
CID 155261627

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-cyclohexylcyclohexyl)-1-[(2-methylpropan-2-yl)oxy]ethoxy]-4-(2,2,5,5-tetramethylheptan-4-yl)benzene?
The IUPAC name of 1-[2-(1-cyclohexylcyclohexyl)-1-[(2-methylpropan-2-yl)oxy]ethoxy]-4-(2,2,5,5-tetramethylheptan-4-yl)benzene (CID 123971759) is 1-[2-(1-cyclohexylcyclohexyl)-1-[(2-methylpropan-2-yl)oxy]ethoxy]-4-(2,2,5,5-tetramethylheptan-4-yl)benzene.
What is the SMILES notation for 1-[2-(1-cyclohexylcyclohexyl)-1-[(2-methylpropan-2-yl)oxy]ethoxy]-4-(2,2,5,5-tetramethylheptan-4-yl)benzene?
The canonical SMILES for 1-[2-(1-cyclohexylcyclohexyl)-1-[(2-methylpropan-2-yl)oxy]ethoxy]-4-(2,2,5,5-tetramethylheptan-4-yl)benzene is CCC(C)(C)C(CC(C)(C)C)c1ccc(OC(CC2(C3CCCCC3)CCCCC2)OC(C)(C)C)cc1.
What is the InChIKey of 1-[2-(1-cyclohexylcyclohexyl)-1-[(2-methylpropan-2-yl)oxy]ethoxy]-4-(2,2,5,5-tetramethylheptan-4-yl)benzene?
The InChIKey is VVIOCRKPIBRNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H60O2/c1-10-34(8,9)30(25-32(2,3)4)27-19-21-29(22-20-27)36-31(37-33(5,6)7)26-35(23-15-12-16-24-35)28-17-13-11-14-18-28/h19-22,28,30-31H,10-18,23-26H2,1-9H3.
What are the key properties of 1-[2-(1-cyclohexylcyclohexyl)-1-[(2-methylpropan-2-yl)oxy]ethoxy]-4-(2,2,5,5-tetramethylheptan-4-yl)benzene?
1-[2-(1-cyclohexylcyclohexyl)-1-[(2-methylpropan-2-yl)oxy]ethoxy]-4-(2,2,5,5-tetramethylheptan-4-yl)benzene has a molecular weight of 512.86 g/mol, XLogP of 11.08, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-cyclohexylcyclohexyl)-1-[(2-methylpropan-2-yl)oxy]ethoxy]-4-(2,2,5,5-tetramethylheptan-4-yl)benzene is sourced from PubChem (CID 123971759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).