2,3,3,5-tetramethyl-5-phenylhexanoic acid

C16H24O2 — CID 147319190

IUPAC2,3,3,5-tetramethyl-5-phenylhexanoic acid
SMILESCC(C(=O)O)C(C)(C)CC(C)(C)c1ccccc1
InChIInChI=1S/C16H24O2/c1-12(14(17)18)15(2,3)11-16(4,5)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3,(H,17,18)
InChIKeyCZLSZOYAHXOJGI-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.10
Rot. Bonds5

About 2,3,3,5-tetramethyl-5-phenylhexanoic acid

2,3,3,5-tetramethyl-5-phenylhexanoic acid (PubChem CID 147319190) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2,3,3,5-tetramethyl-5-phenylhexanoic acid.

Molecular Properties

Compound Name2,3,3,5-tetramethyl-5-phenylhexanoic acid
PubChem CID147319190
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2,3,3,5-tetramethyl-5-phenylhexanoic acid
SMILESCC(C(=O)O)C(C)(C)CC(C)(C)c1ccccc1
InChIInChI=1S/C16H24O2/c1-12(14(17)18)15(2,3)11-16(4,5)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3,(H,17,18)
InChIKeyCZLSZOYAHXOJGI-UHFFFAOYSA-N
XLogP4.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(4-chloro-2,4-dimethylpentan-2-yl)benzene
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(2,4,4,6-tetramethyl-6-phenylheptan-2-yl)benzene
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2-benzhydryl-2-hydroxy-4-methyl-4-phenylpentanoic acid
CID 175263687
phenyl-[4-(2,4,4-trimethylpentan-2-yl)phenyl]methanone
CID 138525815
CID 158792811
CID 158792811
(2R)-4-methyl-4-phenylpentan-2-ol
CID 69029171
2,3-dimethyl-3-phenylbutanoic acid;2-methyl-2-phenylpentan-3-one
CID 159710699
2,3-dimethylbutanedioic acid;2,2-dimethylbutanoic acid;ethane;2-methylbutan-2-ylbenzene
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3-hydroxy-4-methoxy-2-methyl-3-phenylbutanoic acid
CID 103465941

Frequently Asked Questions

What is the IUPAC name of 2,3,3,5-tetramethyl-5-phenylhexanoic acid?
The IUPAC name of 2,3,3,5-tetramethyl-5-phenylhexanoic acid (CID 147319190) is 2,3,3,5-tetramethyl-5-phenylhexanoic acid.
What is the SMILES notation for 2,3,3,5-tetramethyl-5-phenylhexanoic acid?
The canonical SMILES for 2,3,3,5-tetramethyl-5-phenylhexanoic acid is CC(C(=O)O)C(C)(C)CC(C)(C)c1ccccc1.
What is the InChIKey of 2,3,3,5-tetramethyl-5-phenylhexanoic acid?
The InChIKey is CZLSZOYAHXOJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-12(14(17)18)15(2,3)11-16(4,5)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3,(H,17,18).
What are the key properties of 2,3,3,5-tetramethyl-5-phenylhexanoic acid?
2,3,3,5-tetramethyl-5-phenylhexanoic acid has a molecular weight of 248.37 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,5-tetramethyl-5-phenylhexanoic acid is sourced from PubChem (CID 147319190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).