5-(4-methylphenyl)pentanoyl 5-(4-methylphenyl)pentanoate

C24H30O3 — CID 91119269

IUPAC5-(4-methylphenyl)pentanoyl 5-(4-methylphenyl)pentanoate
SMILESCc1ccc(CCCCC(=O)OC(=O)CCCCc2ccc(C)cc2)cc1
InChIInChI=1S/C24H30O3/c1-19-11-15-21(16-12-19)7-3-5-9-23(25)27-24(26)10-6-4-8-22-17-13-20(2)14-18-22/h11-18H,3-10H2,1-2H3
InChIKeyQCMABBSTXKYDQX-UHFFFAOYSA-N
MW366.50 g/mol
LogP5.50
Rot. Bonds10

About 5-(4-methylphenyl)pentanoyl 5-(4-methylphenyl)pentanoate

5-(4-methylphenyl)pentanoyl 5-(4-methylphenyl)pentanoate (PubChem CID 91119269) has the molecular formula C24H30O3 and a molecular weight of 366.50 g/mol. Its IUPAC name is 5-(4-methylphenyl)pentanoyl 5-(4-methylphenyl)pentanoate.

Molecular Properties

Compound Name5-(4-methylphenyl)pentanoyl 5-(4-methylphenyl)pentanoate
PubChem CID91119269
Molecular FormulaC24H30O3
Molecular Weight366.50 g/mol
Exact Mass366.22
IUPAC Name5-(4-methylphenyl)pentanoyl 5-(4-methylphenyl)pentanoate
SMILESCc1ccc(CCCCC(=O)OC(=O)CCCCc2ccc(C)cc2)cc1
InChIInChI=1S/C24H30O3/c1-19-11-15-21(16-12-19)7-3-5-9-23(25)27-24(26)10-6-4-8-22-17-13-20(2)14-18-22/h11-18H,3-10H2,1-2H3
InChIKeyQCMABBSTXKYDQX-UHFFFAOYSA-N
XLogP5.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.50
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(4-methylphenyl)butanoate
CID 10013221
10-(4-methylphenyl)decanoic acid
CID 54262490
6-(4-methylphenyl)hexanethioic S-acid
CID 177221439
acetyl 5-phenylpentanoate
CID 173141097
1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
CID 4174966
6-[4-(4-methylphenyl)phenyl]hexyl propanoate
CID 101128316
ethoxycarbonyl 5-phenylpentanoate
CID 174404488
methane;5-(4-methylphenyl)pentan-2-one
CID 159376155
[3-methylidene-7-(4-methylphenyl)heptyl] acetate
CID 143300783
ethyl 13-(4-bromophenyl)tridecanoate
CID 134946562
bis(4-methylphenyl) hexanedioate
CID 521615
methyl (2S)-2-[5-(4-methylphenyl)pentanoylamino]propanoate
CID 86865868

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)pentanoyl 5-(4-methylphenyl)pentanoate?
The IUPAC name of 5-(4-methylphenyl)pentanoyl 5-(4-methylphenyl)pentanoate (CID 91119269) is 5-(4-methylphenyl)pentanoyl 5-(4-methylphenyl)pentanoate.
What is the SMILES notation for 5-(4-methylphenyl)pentanoyl 5-(4-methylphenyl)pentanoate?
The canonical SMILES for 5-(4-methylphenyl)pentanoyl 5-(4-methylphenyl)pentanoate is Cc1ccc(CCCCC(=O)OC(=O)CCCCc2ccc(C)cc2)cc1.
What is the InChIKey of 5-(4-methylphenyl)pentanoyl 5-(4-methylphenyl)pentanoate?
The InChIKey is QCMABBSTXKYDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O3/c1-19-11-15-21(16-12-19)7-3-5-9-23(25)27-24(26)10-6-4-8-22-17-13-20(2)14-18-22/h11-18H,3-10H2,1-2H3.
What are the key properties of 5-(4-methylphenyl)pentanoyl 5-(4-methylphenyl)pentanoate?
5-(4-methylphenyl)pentanoyl 5-(4-methylphenyl)pentanoate has a molecular weight of 366.50 g/mol, XLogP of 5.50, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)pentanoyl 5-(4-methylphenyl)pentanoate is sourced from PubChem (CID 91119269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).