2-methyl-2-phenyldecanoic acid

C17H26O2 — CID 154177551

IUPAC2-methyl-2-phenyldecanoic acid
SMILESCCCCCCCCC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C17H26O2/c1-3-4-5-6-7-11-14-17(2,16(18)19)15-12-9-8-10-13-15/h8-10,12-13H,3-7,11,14H2,1-2H3,(H,18,19)
InChIKeyHGSUCXGXVNUELD-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.78
Rot. Bonds9

About 2-methyl-2-phenyldecanoic acid

2-methyl-2-phenyldecanoic acid (PubChem CID 154177551) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-methyl-2-phenyldecanoic acid.

Molecular Properties

Compound Name2-methyl-2-phenyldecanoic acid
PubChem CID154177551
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-methyl-2-phenyldecanoic acid
SMILESCCCCCCCCC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C17H26O2/c1-3-4-5-6-7-11-14-17(2,16(18)19)15-12-9-8-10-13-15/h8-10,12-13H,3-7,11,14H2,1-2H3,(H,18,19)
InChIKeyHGSUCXGXVNUELD-UHFFFAOYSA-N
XLogP4.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.78
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-phenylnonadecanoic acid
CID 140988291
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
barium(2+);2-decyl-2-phenylpropanedioic acid;hydride
CID 174968847
(2-methyl-2-phenylhexanoyl) 2-methyl-2-phenylhexaneperoxoate
CID 141354518
magnesium;2-hexyl-2-phenylpropanedioic acid;hydride
CID 174968694
(2-chloro-2-methyl-3-phenylnonadecan-3-yl)benzene
CID 21418823

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyldecanoic acid?
The IUPAC name of 2-methyl-2-phenyldecanoic acid (CID 154177551) is 2-methyl-2-phenyldecanoic acid.
What is the SMILES notation for 2-methyl-2-phenyldecanoic acid?
The canonical SMILES for 2-methyl-2-phenyldecanoic acid is CCCCCCCCC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-methyl-2-phenyldecanoic acid?
The InChIKey is HGSUCXGXVNUELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-3-4-5-6-7-11-14-17(2,16(18)19)15-12-9-8-10-13-15/h8-10,12-13H,3-7,11,14H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-2-phenyldecanoic acid?
2-methyl-2-phenyldecanoic acid has a molecular weight of 262.39 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyldecanoic acid is sourced from PubChem (CID 154177551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).