1-cyclohexyl-4-[2-[1-[4-(2,2,5-trimethylhexan-3-yl)phenoxy]ethoxy]ethoxy]benzene

C31H46O3 — CID 90780259

IUPAC1-cyclohexyl-4-[2-[1-[4-(2,2,5-trimethylhexan-3-yl)phenoxy]ethoxy]ethoxy]benzene
SMILESCC(C)CC(c1ccc(OC(C)OCCOc2ccc(C3CCCCC3)cc2)cc1)C(C)(C)C
InChIInChI=1S/C31H46O3/c1-23(2)22-30(31(4,5)6)27-14-18-29(19-15-27)34-24(3)32-20-21-33-28-16-12-26(13-17-28)25-10-8-7-9-11-25/h12-19,23-25,30H,7-11,20-22H2,1-6H3
InChIKeyUYDZMAHRYWNUSV-UHFFFAOYSA-N
MW466.71 g/mol
LogP8.73
Rot. Bonds11

About 1-cyclohexyl-4-[2-[1-[4-(2,2,5-trimethylhexan-3-yl)phenoxy]ethoxy]ethoxy]benzene

1-cyclohexyl-4-[2-[1-[4-(2,2,5-trimethylhexan-3-yl)phenoxy]ethoxy]ethoxy]benzene (PubChem CID 90780259) has the molecular formula C31H46O3 and a molecular weight of 466.71 g/mol. Its IUPAC name is 1-cyclohexyl-4-[2-[1-[4-(2,2,5-trimethylhexan-3-yl)phenoxy]ethoxy]ethoxy]benzene.

Molecular Properties

Compound Name1-cyclohexyl-4-[2-[1-[4-(2,2,5-trimethylhexan-3-yl)phenoxy]ethoxy]ethoxy]benzene
PubChem CID90780259
Molecular FormulaC31H46O3
Molecular Weight466.71 g/mol
Exact Mass466.34
IUPAC Name1-cyclohexyl-4-[2-[1-[4-(2,2,5-trimethylhexan-3-yl)phenoxy]ethoxy]ethoxy]benzene
SMILESCC(C)CC(c1ccc(OC(C)OCCOc2ccc(C3CCCCC3)cc2)cc1)C(C)(C)C
InChIInChI=1S/C31H46O3/c1-23(2)22-30(31(4,5)6)27-14-18-29(19-15-27)34-24(3)32-20-21-33-28-16-12-26(13-17-28)25-10-8-7-9-11-25/h12-19,23-25,30H,7-11,20-22H2,1-6H3
InChIKeyUYDZMAHRYWNUSV-UHFFFAOYSA-N
XLogP8.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.71
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]phenyl]-2,5-dimethylhexan-2-amine
CID 123490270
1-cyclohexyl-4-[1-[4-(2-iodo-2,5-dimethylhexan-3-yl)phenoxy]ethoxymethyl]benzene
CID 129173092
1-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]-4-(2,2,5-trimethylhexan-3-yl)benzene
CID 123766383
3-[1-[4-(2,2,5-trimethylhexan-3-yl)phenoxy]ethoxy]propanal
CID 143952563
bis(4-butan-2-ylbenzenesulfonate);1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;bis(4-butan-2-ylphenol);bis(triphenylsulfanium)
CID 160574723
1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;tris(4-butan-2-ylphenol);(4-butan-2-ylphenoxy)-methoxymethanol;tert-butyl 2-methylbutanoate
CID 161095237
1-[(2R)-butan-2-yl]-4-[1-(2-cyclohexylethoxy)ethoxy]benzene
CID 89233855
1-[1-(2-cyclohexylethoxy)ethoxy]-4-(3,3-dimethylbutan-2-yl)benzene
CID 123347568
1-(3,3-dicyclohexyl-1-propan-2-yloxypropoxy)-4-(2,2,5-trimethylhexan-3-yl)benzene
CID 123388037
1-(1-ethoxyethoxy)-4-(2,2,5-trimethylheptan-3-yl)benzene
CID 123183893
1-butan-2-yl-4-[1-[2-(4-cyclohexylphenyl)ethoxy]-2-methylpropoxy]benzene
CID 89343379
1-cyclohexyl-4-(2-phenoxyethoxy)benzene
CID 14047825

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[2-[1-[4-(2,2,5-trimethylhexan-3-yl)phenoxy]ethoxy]ethoxy]benzene?
The IUPAC name of 1-cyclohexyl-4-[2-[1-[4-(2,2,5-trimethylhexan-3-yl)phenoxy]ethoxy]ethoxy]benzene (CID 90780259) is 1-cyclohexyl-4-[2-[1-[4-(2,2,5-trimethylhexan-3-yl)phenoxy]ethoxy]ethoxy]benzene.
What is the SMILES notation for 1-cyclohexyl-4-[2-[1-[4-(2,2,5-trimethylhexan-3-yl)phenoxy]ethoxy]ethoxy]benzene?
The canonical SMILES for 1-cyclohexyl-4-[2-[1-[4-(2,2,5-trimethylhexan-3-yl)phenoxy]ethoxy]ethoxy]benzene is CC(C)CC(c1ccc(OC(C)OCCOc2ccc(C3CCCCC3)cc2)cc1)C(C)(C)C.
What is the InChIKey of 1-cyclohexyl-4-[2-[1-[4-(2,2,5-trimethylhexan-3-yl)phenoxy]ethoxy]ethoxy]benzene?
The InChIKey is UYDZMAHRYWNUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H46O3/c1-23(2)22-30(31(4,5)6)27-14-18-29(19-15-27)34-24(3)32-20-21-33-28-16-12-26(13-17-28)25-10-8-7-9-11-25/h12-19,23-25,30H,7-11,20-22H2,1-6H3.
What are the key properties of 1-cyclohexyl-4-[2-[1-[4-(2,2,5-trimethylhexan-3-yl)phenoxy]ethoxy]ethoxy]benzene?
1-cyclohexyl-4-[2-[1-[4-(2,2,5-trimethylhexan-3-yl)phenoxy]ethoxy]ethoxy]benzene has a molecular weight of 466.71 g/mol, XLogP of 8.73, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[2-[1-[4-(2,2,5-trimethylhexan-3-yl)phenoxy]ethoxy]ethoxy]benzene is sourced from PubChem (CID 90780259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).