4-(5,5-dimethylhexyl)-2-(6,6-dimethyloctyl)phenol

C24H42O — CID 170105299

IUPAC4-(5,5-dimethylhexyl)-2-(6,6-dimethyloctyl)phenol
SMILESCCC(C)(C)CCCCCc1cc(CCCCC(C)(C)C)ccc1O
InChIInChI=1S/C24H42O/c1-7-24(5,6)18-11-8-9-14-21-19-20(15-16-22(21)25)13-10-12-17-23(2,3)4/h15-16,19,25H,7-14,17-18H2,1-6H3
InChIKeyAOLXAGGPRUHTES-UHFFFAOYSA-N
MW346.60 g/mol
LogP7.69
Rot. Bonds11

About 4-(5,5-dimethylhexyl)-2-(6,6-dimethyloctyl)phenol

4-(5,5-dimethylhexyl)-2-(6,6-dimethyloctyl)phenol (PubChem CID 170105299) has the molecular formula C24H42O and a molecular weight of 346.60 g/mol. Its IUPAC name is 4-(5,5-dimethylhexyl)-2-(6,6-dimethyloctyl)phenol.

Molecular Properties

Compound Name4-(5,5-dimethylhexyl)-2-(6,6-dimethyloctyl)phenol
PubChem CID170105299
Molecular FormulaC24H42O
Molecular Weight346.60 g/mol
Exact Mass346.32
IUPAC Name4-(5,5-dimethylhexyl)-2-(6,6-dimethyloctyl)phenol
SMILESCCC(C)(C)CCCCCc1cc(CCCCC(C)(C)C)ccc1O
InChIInChI=1S/C24H42O/c1-7-24(5,6)18-11-8-9-14-21-19-20(15-16-22(21)25)13-10-12-17-23(2,3)4/h15-16,19,25H,7-14,17-18H2,1-6H3
InChIKeyAOLXAGGPRUHTES-UHFFFAOYSA-N
XLogP7.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(5,5-dimethylhexyl)-5-(7,7-dimethylnonyl)benzene-1,2-diol
CID 170105433
3-(5,5-dimethylhexyl)-5-(6,6-dimethyloctyl)benzene-1,2-diol
CID 170105324
2-(5,5-dimethylhexyl)-4-[5-(1-methylcyclopropyl)pentyl]phenol
CID 170103693
2-(5,5-dimethylheptyl)-3-(5,5-dimethylhexyl)benzene-1,4-diol
CID 170106028
4-nonyl-2-pentylphenol
CID 86162849
3-(5,5-dimethylheptyl)-5-(5,5-dimethylhexyl)phenol
CID 170105150
4-(5,5-dimethylheptyl)-6-(5,5-dimethylhexyl)benzene-1,2,3-triol
CID 170105179
7-[3-(5-carboxy-5-methylhexyl)-4-hydroxyphenyl]-2,2-dimethylheptanoic acid
CID 155596139
2-(5,5-dimethylheptyl)-6-(5,5-dimethylhexyl)benzene-1,4-diol
CID 170105163
[1-[6-[3-(7,7-dimethyloctyl)-4-hydroxyphenyl]hexyl]cyclopropyl] formate
CID 158464466
2-(6,6-dimethyloctyl)-5-(6-iodo-6-methylheptyl)benzene-1,4-diol
CID 170104814
1,4-bis(10,10-dimethylundecyl)benzene
CID 151982772

Frequently Asked Questions

What is the IUPAC name of 4-(5,5-dimethylhexyl)-2-(6,6-dimethyloctyl)phenol?
The IUPAC name of 4-(5,5-dimethylhexyl)-2-(6,6-dimethyloctyl)phenol (CID 170105299) is 4-(5,5-dimethylhexyl)-2-(6,6-dimethyloctyl)phenol.
What is the SMILES notation for 4-(5,5-dimethylhexyl)-2-(6,6-dimethyloctyl)phenol?
The canonical SMILES for 4-(5,5-dimethylhexyl)-2-(6,6-dimethyloctyl)phenol is CCC(C)(C)CCCCCc1cc(CCCCC(C)(C)C)ccc1O.
What is the InChIKey of 4-(5,5-dimethylhexyl)-2-(6,6-dimethyloctyl)phenol?
The InChIKey is AOLXAGGPRUHTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O/c1-7-24(5,6)18-11-8-9-14-21-19-20(15-16-22(21)25)13-10-12-17-23(2,3)4/h15-16,19,25H,7-14,17-18H2,1-6H3.
What are the key properties of 4-(5,5-dimethylhexyl)-2-(6,6-dimethyloctyl)phenol?
4-(5,5-dimethylhexyl)-2-(6,6-dimethyloctyl)phenol has a molecular weight of 346.60 g/mol, XLogP of 7.69, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-dimethylhexyl)-2-(6,6-dimethyloctyl)phenol is sourced from PubChem (CID 170105299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).