2-(2-cyclohexyl-1-cyclohexyloxyethoxy)-5-(2,2,5,5-tetramethylhexan-3-yl)phenol

C30H50O3 — CID 123370293

IUPAC2-(2-cyclohexyl-1-cyclohexyloxyethoxy)-5-(2,2,5,5-tetramethylhexan-3-yl)phenol
SMILESCC(C)(C)CC(c1ccc(OC(CC2CCCCC2)OC2CCCCC2)c(O)c1)C(C)(C)C
InChIInChI=1S/C30H50O3/c1-29(2,3)21-25(30(4,5)6)23-17-18-27(26(31)20-23)33-28(19-22-13-9-7-10-14-22)32-24-15-11-8-12-16-24/h17-18,20,22,24-25,28,31H,7-16,19,21H2,1-6H3
InChIKeyHZUWYWNYJBTTNM-UHFFFAOYSA-N
MW458.73 g/mol
LogP8.98
Rot. Bonds8

About 2-(2-cyclohexyl-1-cyclohexyloxyethoxy)-5-(2,2,5,5-tetramethylhexan-3-yl)phenol

2-(2-cyclohexyl-1-cyclohexyloxyethoxy)-5-(2,2,5,5-tetramethylhexan-3-yl)phenol (PubChem CID 123370293) has the molecular formula C30H50O3 and a molecular weight of 458.73 g/mol. Its IUPAC name is 2-(2-cyclohexyl-1-cyclohexyloxyethoxy)-5-(2,2,5,5-tetramethylhexan-3-yl)phenol.

Molecular Properties

Compound Name2-(2-cyclohexyl-1-cyclohexyloxyethoxy)-5-(2,2,5,5-tetramethylhexan-3-yl)phenol
PubChem CID123370293
Molecular FormulaC30H50O3
Molecular Weight458.73 g/mol
Exact Mass458.38
IUPAC Name2-(2-cyclohexyl-1-cyclohexyloxyethoxy)-5-(2,2,5,5-tetramethylhexan-3-yl)phenol
SMILESCC(C)(C)CC(c1ccc(OC(CC2CCCCC2)OC2CCCCC2)c(O)c1)C(C)(C)C
InChIInChI=1S/C30H50O3/c1-29(2,3)21-25(30(4,5)6)23-17-18-27(26(31)20-23)33-28(19-22-13-9-7-10-14-22)32-24-15-11-8-12-16-24/h17-18,20,22,24-25,28,31H,7-16,19,21H2,1-6H3
InChIKeyHZUWYWNYJBTTNM-UHFFFAOYSA-N
XLogP8.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.73
LogP ≤ 58.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 123324499
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
1-(2-cyclohexyl-1-cyclohexyloxyethoxy)-4-ethylbenzene
CID 140653876
5-butan-2-yl-2-(3,3-dimethyl-1-propan-2-yloxybutoxy)phenol
CID 118446404
1-[2-cyclohexylethoxy-[4-(2,2,5,5-tetramethylhexan-3-yl)phenoxy]methyl]adamantane
CID 123755292
1-(1-cyclohexyloxyethoxy)-3-(2,2-dimethylpentan-3-yl)benzene
CID 123335154
4-methoxy-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]cyclohexan-1-ol
CID 163986813
3-(2,2,5,5-tetramethylhexan-3-yl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 144724062
2,6-dimethoxy-4-(2,2,5,5-tetramethylhexan-3-yl)phenol
CID 71103144
5-[(S)-amino(cyclohexyl)methyl]-2-methoxyphenol
CID 171218830
(1-cyclohexyloxy-3,3-dimethylbutyl) 2-tert-butyl-2,4-dimethylpentanoate
CID 144560546

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-1-cyclohexyloxyethoxy)-5-(2,2,5,5-tetramethylhexan-3-yl)phenol?
The IUPAC name of 2-(2-cyclohexyl-1-cyclohexyloxyethoxy)-5-(2,2,5,5-tetramethylhexan-3-yl)phenol (CID 123370293) is 2-(2-cyclohexyl-1-cyclohexyloxyethoxy)-5-(2,2,5,5-tetramethylhexan-3-yl)phenol.
What is the SMILES notation for 2-(2-cyclohexyl-1-cyclohexyloxyethoxy)-5-(2,2,5,5-tetramethylhexan-3-yl)phenol?
The canonical SMILES for 2-(2-cyclohexyl-1-cyclohexyloxyethoxy)-5-(2,2,5,5-tetramethylhexan-3-yl)phenol is CC(C)(C)CC(c1ccc(OC(CC2CCCCC2)OC2CCCCC2)c(O)c1)C(C)(C)C.
What is the InChIKey of 2-(2-cyclohexyl-1-cyclohexyloxyethoxy)-5-(2,2,5,5-tetramethylhexan-3-yl)phenol?
The InChIKey is HZUWYWNYJBTTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50O3/c1-29(2,3)21-25(30(4,5)6)23-17-18-27(26(31)20-23)33-28(19-22-13-9-7-10-14-22)32-24-15-11-8-12-16-24/h17-18,20,22,24-25,28,31H,7-16,19,21H2,1-6H3.
What are the key properties of 2-(2-cyclohexyl-1-cyclohexyloxyethoxy)-5-(2,2,5,5-tetramethylhexan-3-yl)phenol?
2-(2-cyclohexyl-1-cyclohexyloxyethoxy)-5-(2,2,5,5-tetramethylhexan-3-yl)phenol has a molecular weight of 458.73 g/mol, XLogP of 8.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-1-cyclohexyloxyethoxy)-5-(2,2,5,5-tetramethylhexan-3-yl)phenol is sourced from PubChem (CID 123370293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).