2-methyl-2-phenylnonadecanoic acid

C26H44O2 — CID 140988291

IUPAC2-methyl-2-phenylnonadecanoic acid
SMILESCCCCCCCCCCCCCCCCCC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C26H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,25(27)28)24-21-18-17-19-22-24/h17-19,21-22H,3-16,20,23H2,1-2H3,(H,27,28)
InChIKeyHSLSEQFLQHSMKW-UHFFFAOYSA-N
MW388.64 g/mol
LogP8.29
Rot. Bonds18

About 2-methyl-2-phenylnonadecanoic acid

2-methyl-2-phenylnonadecanoic acid (PubChem CID 140988291) has the molecular formula C26H44O2 and a molecular weight of 388.64 g/mol. Its IUPAC name is 2-methyl-2-phenylnonadecanoic acid.

Molecular Properties

Compound Name2-methyl-2-phenylnonadecanoic acid
PubChem CID140988291
Molecular FormulaC26H44O2
Molecular Weight388.64 g/mol
Exact Mass388.33
IUPAC Name2-methyl-2-phenylnonadecanoic acid
SMILESCCCCCCCCCCCCCCCCCC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C26H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,25(27)28)24-21-18-17-19-22-24/h17-19,21-22H,3-16,20,23H2,1-2H3,(H,27,28)
InChIKeyHSLSEQFLQHSMKW-UHFFFAOYSA-N
XLogP8.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.64
LogP ≤ 58.29
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-methyl-2-phenyldecanoic acid
CID 154177551
calcium;hydride;2-methyl-2-phenylhexanoic acid
CID 175225013
sodium 2-methyl-2-phenyltetradecanoate
CID 175370916
2-methyl-2-phenylicosaneperoxoic acid
CID 88610014
(Z)-2,16-dimethyl-2,16-diphenylheptadec-8-enedioic acid
CID 137383362
2-nonyl-2-phenylpropanedioic acid
CID 70554602
calcium;hydride;2-octyl-2-phenylpropanedioic acid
CID 174969095
calcium;2-hexyl-2-phenylpropanedioic acid;hydride
CID 174967829
(2-methyl-2-phenylhexanoyl) 2-methyl-2-phenylhexaneperoxoate
CID 141354518
magnesium;2-hexyl-2-phenylpropanedioic acid;hydride
CID 174968694
barium(2+);2-decyl-2-phenylpropanedioic acid;hydride
CID 174968847
(2-chloro-2-methyl-3-phenylnonadecan-3-yl)benzene
CID 21418823

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenylnonadecanoic acid?
The IUPAC name of 2-methyl-2-phenylnonadecanoic acid (CID 140988291) is 2-methyl-2-phenylnonadecanoic acid.
What is the SMILES notation for 2-methyl-2-phenylnonadecanoic acid?
The canonical SMILES for 2-methyl-2-phenylnonadecanoic acid is CCCCCCCCCCCCCCCCCC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-methyl-2-phenylnonadecanoic acid?
The InChIKey is HSLSEQFLQHSMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,25(27)28)24-21-18-17-19-22-24/h17-19,21-22H,3-16,20,23H2,1-2H3,(H,27,28).
What are the key properties of 2-methyl-2-phenylnonadecanoic acid?
2-methyl-2-phenylnonadecanoic acid has a molecular weight of 388.64 g/mol, XLogP of 8.29, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenylnonadecanoic acid is sourced from PubChem (CID 140988291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).