2-naphthalen-1-yldodecanoic acid

C22H30O2 — CID 23333439

IUPAC2-naphthalen-1-yldodecanoic acid
SMILESCCCCCCCCCCC(C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C22H30O2/c1-2-3-4-5-6-7-8-9-16-21(22(23)24)20-17-12-14-18-13-10-11-15-19(18)20/h10-15,17,21H,2-9,16H2,1H3,(H,23,24)
InChIKeyFQOINZKPFGZABD-UHFFFAOYSA-N
MW326.48 g/mol
LogP6.54
Rot. Bonds11

About 2-naphthalen-1-yldodecanoic acid

2-naphthalen-1-yldodecanoic acid (PubChem CID 23333439) has the molecular formula C22H30O2 and a molecular weight of 326.48 g/mol. Its IUPAC name is 2-naphthalen-1-yldodecanoic acid.

Molecular Properties

Compound Name2-naphthalen-1-yldodecanoic acid
PubChem CID23333439
Molecular FormulaC22H30O2
Molecular Weight326.48 g/mol
Exact Mass326.22
IUPAC Name2-naphthalen-1-yldodecanoic acid
SMILESCCCCCCCCCCC(C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C22H30O2/c1-2-3-4-5-6-7-8-9-16-21(22(23)24)20-17-12-14-18-13-10-11-15-19(18)20/h10-15,17,21H,2-9,16H2,1H3,(H,23,24)
InChIKeyFQOINZKPFGZABD-UHFFFAOYSA-N
XLogP6.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 56.54
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

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1-tetracosan-9-ylnaphthalene
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8-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-1-yloctanoic acid
CID 90182349
2-(2-amino-3-methylphenyl)decanoic acid
CID 106987425
2-[3-(1-carboxyundecyl)anthracen-2-yl]-6,7-dioxododecanoic acid
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(3-carboxy-3-naphthalen-1-ylpropyl)-dimethylazanium chloride
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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yldodecanoic acid?
The IUPAC name of 2-naphthalen-1-yldodecanoic acid (CID 23333439) is 2-naphthalen-1-yldodecanoic acid.
What is the SMILES notation for 2-naphthalen-1-yldodecanoic acid?
The canonical SMILES for 2-naphthalen-1-yldodecanoic acid is CCCCCCCCCCC(C(=O)O)c1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-yldodecanoic acid?
The InChIKey is FQOINZKPFGZABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O2/c1-2-3-4-5-6-7-8-9-16-21(22(23)24)20-17-12-14-18-13-10-11-15-19(18)20/h10-15,17,21H,2-9,16H2,1H3,(H,23,24).
What are the key properties of 2-naphthalen-1-yldodecanoic acid?
2-naphthalen-1-yldodecanoic acid has a molecular weight of 326.48 g/mol, XLogP of 6.54, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yldodecanoic acid is sourced from PubChem (CID 23333439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).