2,6-dimethyl-3,5-di(propan-2-yl)benzoic acid

C15H22O2 — CID 29039

IUPAC2,6-dimethyl-3,5-di(propan-2-yl)benzoic acid
SMILESCc1c(C(C)C)cc(C(C)C)c(C)c1C(=O)O
InChIInChI=1S/C15H22O2/c1-8(2)12-7-13(9(3)4)11(6)14(10(12)5)15(16)17/h7-9H,1-6H3,(H,16,17)
InChIKeyCKZVJRAHZOBJTJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.25
Rot. Bonds3

About 2,6-dimethyl-3,5-di(propan-2-yl)benzoic acid

2,6-dimethyl-3,5-di(propan-2-yl)benzoic acid (PubChem CID 29039) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2,6-dimethyl-3,5-di(propan-2-yl)benzoic acid.

Molecular Properties

Compound Name2,6-dimethyl-3,5-di(propan-2-yl)benzoic acid
PubChem CID29039
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2,6-dimethyl-3,5-di(propan-2-yl)benzoic acid
SMILESCc1c(C(C)C)cc(C(C)C)c(C)c1C(=O)O
InChIInChI=1S/C15H22O2/c1-8(2)12-7-13(9(3)4)11(6)14(10(12)5)15(16)17/h7-9H,1-6H3,(H,16,17)
InChIKeyCKZVJRAHZOBJTJ-UHFFFAOYSA-N
XLogP4.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Terephthalic Acid
CID 7489
Bexarotene
CID 82146
P-Toluic Acid
CID 7470
4-tert-Butylbenzoic acid
CID 7403
2-Methylbenzoic acid
CID 8373
4-Isopropylbenzoic Acid
CID 10820
9-Anthracenecarboxylic acid
CID 2201
Pyromellitic Acid
CID 6961
Trimellitic acid
CID 10708
3-Methylbenzoic acid
CID 7418
Arotinoid acid
CID 5289501
(1,1'-Biphenyl)-4-carboxylic acid
CID 66724

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3,5-di(propan-2-yl)benzoic acid?
The IUPAC name of 2,6-dimethyl-3,5-di(propan-2-yl)benzoic acid (CID 29039) is 2,6-dimethyl-3,5-di(propan-2-yl)benzoic acid.
What is the SMILES notation for 2,6-dimethyl-3,5-di(propan-2-yl)benzoic acid?
The canonical SMILES for 2,6-dimethyl-3,5-di(propan-2-yl)benzoic acid is Cc1c(C(C)C)cc(C(C)C)c(C)c1C(=O)O.
What is the InChIKey of 2,6-dimethyl-3,5-di(propan-2-yl)benzoic acid?
The InChIKey is CKZVJRAHZOBJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-8(2)12-7-13(9(3)4)11(6)14(10(12)5)15(16)17/h7-9H,1-6H3,(H,16,17).
What are the key properties of 2,6-dimethyl-3,5-di(propan-2-yl)benzoic acid?
2,6-dimethyl-3,5-di(propan-2-yl)benzoic acid has a molecular weight of 234.34 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3,5-di(propan-2-yl)benzoic acid is sourced from PubChem (CID 29039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).