2,2,3-trimethyl-5-phenylpentanoic acid

C14H20O2 — CID 66734335

IUPAC2,2,3-trimethyl-5-phenylpentanoic acid
SMILESCC(CCc1ccccc1)C(C)(C)C(=O)O
InChIInChI=1S/C14H20O2/c1-11(14(2,3)13(15)16)9-10-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,15,16)
InChIKeySCPMYVTYEFHSOE-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.37
Rot. Bonds5

About 2,2,3-trimethyl-5-phenylpentanoic acid

2,2,3-trimethyl-5-phenylpentanoic acid (PubChem CID 66734335) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2,2,3-trimethyl-5-phenylpentanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-5-phenylpentanoic acid
PubChem CID66734335
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2,2,3-trimethyl-5-phenylpentanoic acid
SMILESCC(CCc1ccccc1)C(C)(C)C(=O)O
InChIInChI=1S/C14H20O2/c1-11(14(2,3)13(15)16)9-10-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,15,16)
InChIKeySCPMYVTYEFHSOE-UHFFFAOYSA-N
XLogP3.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(3R)-3,4,4-trimethylpentyl]benzene
CID 101039673
2-methyl-4-phenylbutanoic acid
CID 66896591
2-methyl-1,4-diphenylbutan-1-one
CID 11413736
2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 51374320
(4R)-5,5-dimethyl-4-(2-phenylethyl)hexan-3-one
CID 67129592
2-[ethyl(4-phenylbutan-2-yl)amino]-2-methylpropanoic acid
CID 65061373
4-(3,4,4-trimethylpentyl)benzoic acid
CID 143655581
(2R)-2-tert-butyl-3-(2-phenylethyl)butanedioic acid
CID 70166534
(3R)-4,4-dimethyl-1-phenylpentan-3-ol
CID 53244616
(2S)-2-amino-4-phenyl-N-(2,3,3-trimethylbutyl)butanamide
CID 104984745
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride
CID 174557988

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-5-phenylpentanoic acid?
The IUPAC name of 2,2,3-trimethyl-5-phenylpentanoic acid (CID 66734335) is 2,2,3-trimethyl-5-phenylpentanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-5-phenylpentanoic acid?
The canonical SMILES for 2,2,3-trimethyl-5-phenylpentanoic acid is CC(CCc1ccccc1)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-5-phenylpentanoic acid?
The InChIKey is SCPMYVTYEFHSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-11(14(2,3)13(15)16)9-10-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,15,16).
What are the key properties of 2,2,3-trimethyl-5-phenylpentanoic acid?
2,2,3-trimethyl-5-phenylpentanoic acid has a molecular weight of 220.31 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-5-phenylpentanoic acid is sourced from PubChem (CID 66734335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).