1,1,2,2-tetramethyl-3H-indene-5-carboxylic acid

C14H18O2 — CID 67941852

IUPAC1,1,2,2-tetramethyl-3H-indene-5-carboxylic acid
SMILESCC1(C)Cc2cc(C(=O)O)ccc2C1(C)C
InChIInChI=1S/C14H18O2/c1-13(2)8-10-7-9(12(15)16)5-6-11(10)14(13,3)4/h5-7H,8H2,1-4H3,(H,15,16)
InChIKeyNJJUHSSDIHBNCE-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.24
Rot. Bonds1

About 1,1,2,2-tetramethyl-3H-indene-5-carboxylic acid

1,1,2,2-tetramethyl-3H-indene-5-carboxylic acid (PubChem CID 67941852) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1,1,2,2-tetramethyl-3H-indene-5-carboxylic acid.

Molecular Properties

Compound Name1,1,2,2-tetramethyl-3H-indene-5-carboxylic acid
PubChem CID67941852
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1,1,2,2-tetramethyl-3H-indene-5-carboxylic acid
SMILESCC1(C)Cc2cc(C(=O)O)ccc2C1(C)C
InChIInChI=1S/C14H18O2/c1-13(2)8-10-7-9(12(15)16)5-6-11(10)14(13,3)4/h5-7H,8H2,1-4H3,(H,15,16)
InChIKeyNJJUHSSDIHBNCE-UHFFFAOYSA-N
XLogP3.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetramethyl-3H-indene-5-carboxylic acid?
The IUPAC name of 1,1,2,2-tetramethyl-3H-indene-5-carboxylic acid (CID 67941852) is 1,1,2,2-tetramethyl-3H-indene-5-carboxylic acid.
What is the SMILES notation for 1,1,2,2-tetramethyl-3H-indene-5-carboxylic acid?
The canonical SMILES for 1,1,2,2-tetramethyl-3H-indene-5-carboxylic acid is CC1(C)Cc2cc(C(=O)O)ccc2C1(C)C.
What is the InChIKey of 1,1,2,2-tetramethyl-3H-indene-5-carboxylic acid?
The InChIKey is NJJUHSSDIHBNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-13(2)8-10-7-9(12(15)16)5-6-11(10)14(13,3)4/h5-7H,8H2,1-4H3,(H,15,16).
What are the key properties of 1,1,2,2-tetramethyl-3H-indene-5-carboxylic acid?
1,1,2,2-tetramethyl-3H-indene-5-carboxylic acid has a molecular weight of 218.30 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetramethyl-3H-indene-5-carboxylic acid is sourced from PubChem (CID 67941852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).