5,6-dioctylnaphthalen-2-ol

C26H40O — CID 67259001

IUPAC5,6-dioctylnaphthalen-2-ol
SMILESCCCCCCCCc1ccc2cc(O)ccc2c1CCCCCCCC
InChIInChI=1S/C26H40O/c1-3-5-7-9-11-13-15-22-17-18-23-21-24(27)19-20-26(23)25(22)16-14-12-10-8-6-4-2/h17-21,27H,3-16H2,1-2H3
InChIKeyYICKQXBBCJIQBN-UHFFFAOYSA-N
MW368.61 g/mol
LogP8.35
Rot. Bonds14

About 5,6-dioctylnaphthalen-2-ol

5,6-dioctylnaphthalen-2-ol (PubChem CID 67259001) has the molecular formula C26H40O and a molecular weight of 368.61 g/mol. Its IUPAC name is 5,6-dioctylnaphthalen-2-ol.

Molecular Properties

Compound Name5,6-dioctylnaphthalen-2-ol
PubChem CID67259001
Molecular FormulaC26H40O
Molecular Weight368.61 g/mol
Exact Mass368.31
IUPAC Name5,6-dioctylnaphthalen-2-ol
SMILESCCCCCCCCc1ccc2cc(O)ccc2c1CCCCCCCC
InChIInChI=1S/C26H40O/c1-3-5-7-9-11-13-15-22-17-18-23-21-24(27)19-20-26(23)25(22)16-14-12-10-8-6-4-2/h17-21,27H,3-16H2,1-2H3
InChIKeyYICKQXBBCJIQBN-UHFFFAOYSA-N
XLogP8.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.61
LogP ≤ 58.35
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

5,6-dihexylnaphthalen-2-ol
CID 67259351
5,6-di(pentadecyl)naphthalene-2-sulfonic acid
CID 101319747
5,6-di(undecyl)naphthalene-2-sulfonic acid
CID 101319581
5,6-di(heptadecyl)naphthalene-2-sulfonic acid
CID 101319831
1,2-didecylnaphthalene
CID 22410831
1,2-di(icosyl)naphthalene
CID 90782201
4-tricosylbenzene-1,3-diol
CID 101133990
3,4,9,10-tetradodecylpicene
CID 58426518
CID 162312155
CID 162312155
CID 66933436
CID 66933436
3-methyl-4-octylphenol
CID 67863636
sodium 5,6-dioctylnaphthalene-2-sulfonate
CID 101325072

Frequently Asked Questions

What is the IUPAC name of 5,6-dioctylnaphthalen-2-ol?
The IUPAC name of 5,6-dioctylnaphthalen-2-ol (CID 67259001) is 5,6-dioctylnaphthalen-2-ol.
What is the SMILES notation for 5,6-dioctylnaphthalen-2-ol?
The canonical SMILES for 5,6-dioctylnaphthalen-2-ol is CCCCCCCCc1ccc2cc(O)ccc2c1CCCCCCCC.
What is the InChIKey of 5,6-dioctylnaphthalen-2-ol?
The InChIKey is YICKQXBBCJIQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40O/c1-3-5-7-9-11-13-15-22-17-18-23-21-24(27)19-20-26(23)25(22)16-14-12-10-8-6-4-2/h17-21,27H,3-16H2,1-2H3.
What are the key properties of 5,6-dioctylnaphthalen-2-ol?
5,6-dioctylnaphthalen-2-ol has a molecular weight of 368.61 g/mol, XLogP of 8.35, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dioctylnaphthalen-2-ol is sourced from PubChem (CID 67259001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).