3,3,5-trimethyl-5-phenylhexanoic acid

C15H22O2 — CID 167163397

IUPAC3,3,5-trimethyl-5-phenylhexanoic acid
SMILESCC(C)(CC(=O)O)CC(C)(C)c1ccccc1
InChIInChI=1S/C15H22O2/c1-14(2,10-13(16)17)11-15(3,4)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,16,17)
InChIKeyLHSIFUWMOWSUCN-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.86
Rot. Bonds5

About 3,3,5-trimethyl-5-phenylhexanoic acid

3,3,5-trimethyl-5-phenylhexanoic acid (PubChem CID 167163397) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3,3,5-trimethyl-5-phenylhexanoic acid.

Molecular Properties

Compound Name3,3,5-trimethyl-5-phenylhexanoic acid
PubChem CID167163397
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name3,3,5-trimethyl-5-phenylhexanoic acid
SMILESCC(C)(CC(=O)O)CC(C)(C)c1ccccc1
InChIInChI=1S/C15H22O2/c1-14(2,10-13(16)17)11-15(3,4)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,16,17)
InChIKeyLHSIFUWMOWSUCN-UHFFFAOYSA-N
XLogP3.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 164800464
methyl 2-[(1-methoxy-2,4-dimethyl-1-oxo-4-phenylpentan-2-yl)diazenyl]-2,4-dimethyl-4-phenylpentanoate
CID 14899540
2,3,3,5-tetramethyl-5-phenylhexanoic acid
CID 147319190
CID 158792811
CID 158792811
3-methyl-3-(3-phenylphenyl)butanoic acid
CID 117389329
(4-chloro-2,4-dimethylpentan-2-yl)benzene
CID 13095883
methyl 2-amino-2,4-dimethyl-4-phenylpentanoate
CID 14899524
(2-methyl-2-phenylpropyl)carbamothioic S-acid
CID 115170506
4-benzylselanyl-3,3-dimethylbutanoic acid
CID 561464
manganese;3,3,5,5-tetramethylhexanoic acid
CID 139596893
2-benzhydryl-2-hydroxy-4-methyl-4-phenylpentanoic acid
CID 175263687
methanamine;methane;2,4,4-trimethylpentan-2-ylbenzene
CID 144516441

Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-5-phenylhexanoic acid?
The IUPAC name of 3,3,5-trimethyl-5-phenylhexanoic acid (CID 167163397) is 3,3,5-trimethyl-5-phenylhexanoic acid.
What is the SMILES notation for 3,3,5-trimethyl-5-phenylhexanoic acid?
The canonical SMILES for 3,3,5-trimethyl-5-phenylhexanoic acid is CC(C)(CC(=O)O)CC(C)(C)c1ccccc1.
What is the InChIKey of 3,3,5-trimethyl-5-phenylhexanoic acid?
The InChIKey is LHSIFUWMOWSUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-14(2,10-13(16)17)11-15(3,4)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,16,17).
What are the key properties of 3,3,5-trimethyl-5-phenylhexanoic acid?
3,3,5-trimethyl-5-phenylhexanoic acid has a molecular weight of 234.34 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-5-phenylhexanoic acid is sourced from PubChem (CID 167163397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).