3,3-dimethyl-5-[4-(2-methylpropyl)phenyl]pentanoic acid

C17H26O2 — CID 63535833

IUPAC3,3-dimethyl-5-[4-(2-methylpropyl)phenyl]pentanoic acid
SMILESCC(C)Cc1ccc(CCC(C)(C)CC(=O)O)cc1
InChIInChI=1S/C17H26O2/c1-13(2)11-15-7-5-14(6-8-15)9-10-17(3,4)12-16(18)19/h5-8,13H,9-12H2,1-4H3,(H,18,19)
InChIKeyZVIVIWCKUHJNCB-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.32
Rot. Bonds7

About 3,3-dimethyl-5-[4-(2-methylpropyl)phenyl]pentanoic acid

3,3-dimethyl-5-[4-(2-methylpropyl)phenyl]pentanoic acid (PubChem CID 63535833) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 3,3-dimethyl-5-[4-(2-methylpropyl)phenyl]pentanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-5-[4-(2-methylpropyl)phenyl]pentanoic acid
PubChem CID63535833
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name3,3-dimethyl-5-[4-(2-methylpropyl)phenyl]pentanoic acid
SMILESCC(C)Cc1ccc(CCC(C)(C)CC(=O)O)cc1
InChIInChI=1S/C17H26O2/c1-13(2)11-15-7-5-14(6-8-15)9-10-17(3,4)12-16(18)19/h5-8,13H,9-12H2,1-4H3,(H,18,19)
InChIKeyZVIVIWCKUHJNCB-UHFFFAOYSA-N
XLogP4.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentanoic acid
CID 62930718
5-(4-iodophenyl)-3,3-dimethylpentanoic acid
CID 62930555
3-methyl-3-[4-(2-methylpropyl)phenyl]butanoic acid
CID 79019407
3,3-dimethyl-5-phenylpentanoic acid;ethane;propane
CID 142907500
N,3,3-trimethyl-5-[4-(2-methylpropyl)phenyl]pentan-1-amine
CID 65304916
4-(2-methylpropyl)phenol;propanoic acid
CID 174874916
2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 82290776
3,3-dimethyl-15-phenylpentadecanoic acid
CID 2737130
5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3,3-dimethylpentanoic acid
CID 62930547
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethylpentanoic acid
CID 62930551
[4-(2-methylpropyl)phenyl]carbamic acid
CID 115170610
3-cyclopropyl-3-hydroxy-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 112507671

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-[4-(2-methylpropyl)phenyl]pentanoic acid?
The IUPAC name of 3,3-dimethyl-5-[4-(2-methylpropyl)phenyl]pentanoic acid (CID 63535833) is 3,3-dimethyl-5-[4-(2-methylpropyl)phenyl]pentanoic acid.
What is the SMILES notation for 3,3-dimethyl-5-[4-(2-methylpropyl)phenyl]pentanoic acid?
The canonical SMILES for 3,3-dimethyl-5-[4-(2-methylpropyl)phenyl]pentanoic acid is CC(C)Cc1ccc(CCC(C)(C)CC(=O)O)cc1.
What is the InChIKey of 3,3-dimethyl-5-[4-(2-methylpropyl)phenyl]pentanoic acid?
The InChIKey is ZVIVIWCKUHJNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-13(2)11-15-7-5-14(6-8-15)9-10-17(3,4)12-16(18)19/h5-8,13H,9-12H2,1-4H3,(H,18,19).
What are the key properties of 3,3-dimethyl-5-[4-(2-methylpropyl)phenyl]pentanoic acid?
3,3-dimethyl-5-[4-(2-methylpropyl)phenyl]pentanoic acid has a molecular weight of 262.39 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-[4-(2-methylpropyl)phenyl]pentanoic acid is sourced from PubChem (CID 63535833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).