3-(2,2-dimethyl-1,3-dihydroinden-5-yl)-2-methylpropanoic acid

C15H20O2 — CID 132513681

IUPAC3-(2,2-dimethyl-1,3-dihydroinden-5-yl)-2-methylpropanoic acid
SMILESCC(Cc1ccc2c(c1)CC(C)(C)C2)C(=O)O
InChIInChI=1S/C15H20O2/c1-10(14(16)17)6-11-4-5-12-8-15(2,3)9-13(12)7-11/h4-5,7,10H,6,8-9H2,1-3H3,(H,16,17)
InChIKeyQEGYMIKEYRKQIH-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.07
Rot. Bonds3

About 3-(2,2-dimethyl-1,3-dihydroinden-5-yl)-2-methylpropanoic acid

3-(2,2-dimethyl-1,3-dihydroinden-5-yl)-2-methylpropanoic acid (PubChem CID 132513681) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3-(2,2-dimethyl-1,3-dihydroinden-5-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2,2-dimethyl-1,3-dihydroinden-5-yl)-2-methylpropanoic acid
PubChem CID132513681
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name3-(2,2-dimethyl-1,3-dihydroinden-5-yl)-2-methylpropanoic acid
SMILESCC(Cc1ccc2c(c1)CC(C)(C)C2)C(=O)O
InChIInChI=1S/C15H20O2/c1-10(14(16)17)6-11-4-5-12-8-15(2,3)9-13(12)7-11/h4-5,7,10H,6,8-9H2,1-3H3,(H,16,17)
InChIKeyQEGYMIKEYRKQIH-UHFFFAOYSA-N
XLogP3.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethyl-1,3-dihydroinden-5-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(2,2-dimethyl-1,3-dihydroinden-5-yl)-2-methylpropanoic acid (CID 132513681) is 3-(2,2-dimethyl-1,3-dihydroinden-5-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2,2-dimethyl-1,3-dihydroinden-5-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(2,2-dimethyl-1,3-dihydroinden-5-yl)-2-methylpropanoic acid is CC(Cc1ccc2c(c1)CC(C)(C)C2)C(=O)O.
What is the InChIKey of 3-(2,2-dimethyl-1,3-dihydroinden-5-yl)-2-methylpropanoic acid?
The InChIKey is QEGYMIKEYRKQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-10(14(16)17)6-11-4-5-12-8-15(2,3)9-13(12)7-11/h4-5,7,10H,6,8-9H2,1-3H3,(H,16,17).
What are the key properties of 3-(2,2-dimethyl-1,3-dihydroinden-5-yl)-2-methylpropanoic acid?
3-(2,2-dimethyl-1,3-dihydroinden-5-yl)-2-methylpropanoic acid has a molecular weight of 232.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyl-1,3-dihydroinden-5-yl)-2-methylpropanoic acid is sourced from PubChem (CID 132513681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).