11-(4-pentylnaphthalen-1-yl)undec-10-enoic acid

C26H36O2 — CID 175923096

IUPAC11-(4-pentylnaphthalen-1-yl)undec-10-enoic acid
SMILESCCCCCc1ccc(C=CCCCCCCCCC(=O)O)c2ccccc12
InChIInChI=1S/C26H36O2/c1-2-3-10-15-22-20-21-23(25-18-14-13-17-24(22)25)16-11-8-6-4-5-7-9-12-19-26(27)28/h11,13-14,16-18,20-21H,2-10,12,15,19H2,1H3,(H,27,28)
InChIKeyZKZBRNSJWIFEIE-UHFFFAOYSA-N
MW380.57 g/mol
LogP7.79
Rot. Bonds14

About 11-(4-pentylnaphthalen-1-yl)undec-10-enoic acid

11-(4-pentylnaphthalen-1-yl)undec-10-enoic acid (PubChem CID 175923096) has the molecular formula C26H36O2 and a molecular weight of 380.57 g/mol. Its IUPAC name is 11-(4-pentylnaphthalen-1-yl)undec-10-enoic acid.

Molecular Properties

Compound Name11-(4-pentylnaphthalen-1-yl)undec-10-enoic acid
PubChem CID175923096
Molecular FormulaC26H36O2
Molecular Weight380.57 g/mol
Exact Mass380.27
IUPAC Name11-(4-pentylnaphthalen-1-yl)undec-10-enoic acid
SMILESCCCCCc1ccc(C=CCCCCCCCCC(=O)O)c2ccccc12
InChIInChI=1S/C26H36O2/c1-2-3-10-15-22-20-21-23(25-18-14-13-17-24(22)25)16-11-8-6-4-5-7-9-12-19-26(27)28/h11,13-14,16-18,20-21H,2-10,12,15,19H2,1H3,(H,27,28)
InChIKeyZKZBRNSJWIFEIE-UHFFFAOYSA-N
XLogP7.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.57
LogP ≤ 57.79
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

(E)-6-(2-nonylphenyl)hex-5-enoic acid
CID 21273106
3-[2-[(Z)-tridec-1-enyl]phenyl]propanoic acid
CID 70431836
benzoic acid;tris(octadec-9-enoic acid)
CID 161443012
(E)-19-(2-hydroxyphenyl)nonadec-18-enoic acid
CID 58721548
octadec-9-enoic acid;phenylmethanol
CID 67916229
3-[2-carboxyethylsulfanyl-[2-[(E)-dodec-1-enyl]phenyl]methyl]sulfanylpropanoic acid
CID 14097583
4-(3-octadeca-9,12-dienylindol-1-yl)butanoic acid
CID 54369650
(Z)-octadec-9-enoic acid;2-phenylprop-2-enoic acid
CID 164897777
(Z)-7-(2-methylphenyl)hept-6-enoic acid
CID 175666421
(Z)-hexadec-9-enoic acid;octadecanoic acid;(Z)-octadec-9-enoic acid
CID 157299242
octadecane;octadec-9-enoic acid
CID 158603673
(23E,29E)-heptatriaconta-23,29-dienoic acid
CID 87652352

Frequently Asked Questions

What is the IUPAC name of 11-(4-pentylnaphthalen-1-yl)undec-10-enoic acid?
The IUPAC name of 11-(4-pentylnaphthalen-1-yl)undec-10-enoic acid (CID 175923096) is 11-(4-pentylnaphthalen-1-yl)undec-10-enoic acid.
What is the SMILES notation for 11-(4-pentylnaphthalen-1-yl)undec-10-enoic acid?
The canonical SMILES for 11-(4-pentylnaphthalen-1-yl)undec-10-enoic acid is CCCCCc1ccc(C=CCCCCCCCCC(=O)O)c2ccccc12.
What is the InChIKey of 11-(4-pentylnaphthalen-1-yl)undec-10-enoic acid?
The InChIKey is ZKZBRNSJWIFEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O2/c1-2-3-10-15-22-20-21-23(25-18-14-13-17-24(22)25)16-11-8-6-4-5-7-9-12-19-26(27)28/h11,13-14,16-18,20-21H,2-10,12,15,19H2,1H3,(H,27,28).
What are the key properties of 11-(4-pentylnaphthalen-1-yl)undec-10-enoic acid?
11-(4-pentylnaphthalen-1-yl)undec-10-enoic acid has a molecular weight of 380.57 g/mol, XLogP of 7.79, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-pentylnaphthalen-1-yl)undec-10-enoic acid is sourced from PubChem (CID 175923096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).