(Z,2R)-2-(naphthalene-2-carbonyloxy)dec-4-enoic acid

C21H24O4 — CID 102123848

IUPAC(Z,2R)-2-(naphthalene-2-carbonyloxy)dec-4-enoic acid
SMILESCCCCC/C=C\C[C@@H](OC(=O)c1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C21H24O4/c1-2-3-4-5-6-7-12-19(20(22)23)25-21(24)18-14-13-16-10-8-9-11-17(16)15-18/h6-11,13-15,19H,2-5,12H2,1H3,(H,22,23)/b7-6-/t19-/m1/s1
InChIKeyAHOFKGQMKRTXJF-LIXSYLKWSA-N
MW340.42 g/mol
LogP4.98
Rot. Bonds9

About (Z,2R)-2-(naphthalene-2-carbonyloxy)dec-4-enoic acid

(Z,2R)-2-(naphthalene-2-carbonyloxy)dec-4-enoic acid (PubChem CID 102123848) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is (Z,2R)-2-(naphthalene-2-carbonyloxy)dec-4-enoic acid.

Molecular Properties

Compound Name(Z,2R)-2-(naphthalene-2-carbonyloxy)dec-4-enoic acid
PubChem CID102123848
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Name(Z,2R)-2-(naphthalene-2-carbonyloxy)dec-4-enoic acid
SMILESCCCCC/C=C\C[C@@H](OC(=O)c1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C21H24O4/c1-2-3-4-5-6-7-12-19(20(22)23)25-21(24)18-14-13-16-10-8-9-11-17(16)15-18/h6-11,13-15,19H,2-5,12H2,1H3,(H,22,23)/b7-6-/t19-/m1/s1
InChIKeyAHOFKGQMKRTXJF-LIXSYLKWSA-N
XLogP4.98
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(E,2R,3S)-3-hydroxy-2-[[(Z)-tetracos-15-enoyl]amino]nonadec-4-enyl] naphthalene-2-carboxylate
CID 142003269
2-(pyridine-3-carbonyloxy)icosa-8,11,14-trienoic acid
CID 70293088
[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 7698131
[(Z)-1-oxooctadec-9-en-2-yl] benzoate
CID 89296568
1-phenylethyl naphthalene-2-carboxylate
CID 13356574
2-methoxy-1-naphthalen-2-yltetradecan-1-one
CID 20979765
[1-oxo-1-(propylamino)propan-2-yl] naphthalene-2-carboxylate
CID 18090823
2-[(Z)-oct-2-enyl]propanedioic acid
CID 156873558
2-(3-methylbenzoyl)oxydecanoic acid
CID 22889778
(2R)-2-(3,4-dichlorobenzoyl)oxy-3-naphthalen-2-ylpropanoic acid
CID 153297041
bis(1-ethoxy-1-oxopropan-2-yl) naphthalene-2,6-dicarboxylate
CID 19746975
phenyl heptadec-3-enoate
CID 54292851

Frequently Asked Questions

What is the IUPAC name of (Z,2R)-2-(naphthalene-2-carbonyloxy)dec-4-enoic acid?
The IUPAC name of (Z,2R)-2-(naphthalene-2-carbonyloxy)dec-4-enoic acid (CID 102123848) is (Z,2R)-2-(naphthalene-2-carbonyloxy)dec-4-enoic acid.
What is the SMILES notation for (Z,2R)-2-(naphthalene-2-carbonyloxy)dec-4-enoic acid?
The canonical SMILES for (Z,2R)-2-(naphthalene-2-carbonyloxy)dec-4-enoic acid is CCCCC/C=C\C[C@@H](OC(=O)c1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of (Z,2R)-2-(naphthalene-2-carbonyloxy)dec-4-enoic acid?
The InChIKey is AHOFKGQMKRTXJF-LIXSYLKWSA-N. The full InChI is InChI=1S/C21H24O4/c1-2-3-4-5-6-7-12-19(20(22)23)25-21(24)18-14-13-16-10-8-9-11-17(16)15-18/h6-11,13-15,19H,2-5,12H2,1H3,(H,22,23)/b7-6-/t19-/m1/s1.
What are the key properties of (Z,2R)-2-(naphthalene-2-carbonyloxy)dec-4-enoic acid?
(Z,2R)-2-(naphthalene-2-carbonyloxy)dec-4-enoic acid has a molecular weight of 340.42 g/mol, XLogP of 4.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-2-(naphthalene-2-carbonyloxy)dec-4-enoic acid is sourced from PubChem (CID 102123848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).