2-acetyl-10,10-diphenyldecanoic acid

C24H30O3 — CID 69432252

IUPAC2-acetyl-10,10-diphenyldecanoic acid
SMILESCC(=O)C(CCCCCCCC(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C24H30O3/c1-19(25)22(24(26)27)17-11-3-2-4-12-18-23(20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-10,13-16,22-23H,2-4,11-12,17-18H2,1H3,(H,26,27)
InChIKeyOAHRINAUXZEOGG-UHFFFAOYSA-N
MW366.50 g/mol
LogP5.84
Rot. Bonds12

About 2-acetyl-10,10-diphenyldecanoic acid

2-acetyl-10,10-diphenyldecanoic acid (PubChem CID 69432252) has the molecular formula C24H30O3 and a molecular weight of 366.50 g/mol. Its IUPAC name is 2-acetyl-10,10-diphenyldecanoic acid.

Molecular Properties

Compound Name2-acetyl-10,10-diphenyldecanoic acid
PubChem CID69432252
Molecular FormulaC24H30O3
Molecular Weight366.50 g/mol
Exact Mass366.22
IUPAC Name2-acetyl-10,10-diphenyldecanoic acid
SMILESCC(=O)C(CCCCCCCC(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C24H30O3/c1-19(25)22(24(26)27)17-11-3-2-4-12-18-23(20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-10,13-16,22-23H,2-4,11-12,17-18H2,1H3,(H,26,27)
InChIKeyOAHRINAUXZEOGG-UHFFFAOYSA-N
XLogP5.84
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.50
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

12,12-diphenyldodecyl(trihydroxy)phosphanium
CID 66694525
(2S,4S)-2-amino-4-(5,5-diphenylpentyl)pentanedioic acid
CID 10339084
11-phenyl-11-pyridin-3-ylundecan-2-one
CID 22444310
2-acetyl-6-hydroxyhexanoic acid
CID 59350415
3-nonyl-1-phenylpentane-2,4-dione
CID 70400980
2-(8-phenyloctyl)propanedioic acid
CID 20544236
8,8-diphenyloctyl(oxo)phosphanium
CID 173421020
methyl 5,5-diphenylpentanoate
CID 10923549
3-(3-phenoxypropyl)pentane-2,4-dione
CID 30842809
benzyl 2-acetyl-7-phenoxyheptanoate
CID 18370148
7-(2,3,4,5,6-pentamethylphenyl)-7-phenylheptanoic acid
CID 154589415
2-ethoxycarbonyl-7-phenyloctanoic acid
CID 54027048

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-10,10-diphenyldecanoic acid?
The IUPAC name of 2-acetyl-10,10-diphenyldecanoic acid (CID 69432252) is 2-acetyl-10,10-diphenyldecanoic acid.
What is the SMILES notation for 2-acetyl-10,10-diphenyldecanoic acid?
The canonical SMILES for 2-acetyl-10,10-diphenyldecanoic acid is CC(=O)C(CCCCCCCC(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of 2-acetyl-10,10-diphenyldecanoic acid?
The InChIKey is OAHRINAUXZEOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O3/c1-19(25)22(24(26)27)17-11-3-2-4-12-18-23(20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-10,13-16,22-23H,2-4,11-12,17-18H2,1H3,(H,26,27).
What are the key properties of 2-acetyl-10,10-diphenyldecanoic acid?
2-acetyl-10,10-diphenyldecanoic acid has a molecular weight of 366.50 g/mol, XLogP of 5.84, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-10,10-diphenyldecanoic acid is sourced from PubChem (CID 69432252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).