10-naphthalen-2-yldecanoic acid

C20H26O2 — CID 21478009

IUPAC10-naphthalen-2-yldecanoic acid
SMILESO=C(O)CCCCCCCCCc1ccc2ccccc2c1
InChIInChI=1S/C20H26O2/c21-20(22)13-7-5-3-1-2-4-6-10-17-14-15-18-11-8-9-12-19(18)16-17/h8-9,11-12,14-16H,1-7,10,13H2,(H,21,22)
InChIKeyGQVQURLSALTZFX-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.59
Rot. Bonds10

About 10-naphthalen-2-yldecanoic acid

10-naphthalen-2-yldecanoic acid (PubChem CID 21478009) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 10-naphthalen-2-yldecanoic acid.

Molecular Properties

Compound Name10-naphthalen-2-yldecanoic acid
PubChem CID21478009
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name10-naphthalen-2-yldecanoic acid
SMILESO=C(O)CCCCCCCCCc1ccc2ccccc2c1
InChIInChI=1S/C20H26O2/c21-20(22)13-7-5-3-1-2-4-6-10-17-14-15-18-11-8-9-12-19(18)16-17/h8-9,11-12,14-16H,1-7,10,13H2,(H,21,22)
InChIKeyGQVQURLSALTZFX-UHFFFAOYSA-N
XLogP5.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.59
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

2-(11-naphthalen-2-ylundecyl)naphthalene
CID 86035863
15-phenylpentadecanoic acid
CID 2737151
3-(2-naphthalen-2-ylethylamino)propanoic acid
CID 115218333
4-anthracen-2-ylbutanoic acid;4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone
CID 131727342
ethane;5-naphthalen-2-ylpentan-2-one
CID 177221326
7-naphthalen-2-yloxyheptanoic acid
CID 39371628
sodium;hydride;12-phenyldodecanoic acid;selane
CID 174847736
sodium;hydride;15-phenylpentadecanoic acid;selane
CID 174846933
4-pyren-2-ylbutanoic acid
CID 13113907
7-[3-(hydroxymethyl)phenyl]heptanoic acid
CID 174451541
6-(3,4-dichlorophenyl)hexanoic acid
CID 43446941
8-naphthalen-2-yloxy-8-oxooctanoic acid
CID 70617046

Frequently Asked Questions

What is the IUPAC name of 10-naphthalen-2-yldecanoic acid?
The IUPAC name of 10-naphthalen-2-yldecanoic acid (CID 21478009) is 10-naphthalen-2-yldecanoic acid.
What is the SMILES notation for 10-naphthalen-2-yldecanoic acid?
The canonical SMILES for 10-naphthalen-2-yldecanoic acid is O=C(O)CCCCCCCCCc1ccc2ccccc2c1.
What is the InChIKey of 10-naphthalen-2-yldecanoic acid?
The InChIKey is GQVQURLSALTZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c21-20(22)13-7-5-3-1-2-4-6-10-17-14-15-18-11-8-9-12-19(18)16-17/h8-9,11-12,14-16H,1-7,10,13H2,(H,21,22).
What are the key properties of 10-naphthalen-2-yldecanoic acid?
10-naphthalen-2-yldecanoic acid has a molecular weight of 298.43 g/mol, XLogP of 5.59, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-naphthalen-2-yldecanoic acid is sourced from PubChem (CID 21478009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).