3,3-dimethylindene-1-carboxylic acid

C12H12O2 — CID 82075339

IUPAC3,3-dimethylindene-1-carboxylic acid
SMILESCC1(C)C=C(C(=O)O)c2ccccc21
InChIInChI=1S/C12H12O2/c1-12(2)7-9(11(13)14)8-5-3-4-6-10(8)12/h3-7H,1-2H3,(H,13,14)
InChIKeyAQRDILWKNASMED-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.45
Rot. Bonds1

About 3,3-dimethylindene-1-carboxylic acid

3,3-dimethylindene-1-carboxylic acid (PubChem CID 82075339) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3,3-dimethylindene-1-carboxylic acid.

Molecular Properties

Compound Name3,3-dimethylindene-1-carboxylic acid
PubChem CID82075339
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name3,3-dimethylindene-1-carboxylic acid
SMILESCC1(C)C=C(C(=O)O)c2ccccc21
InChIInChI=1S/C12H12O2/c1-12(2)7-9(11(13)14)8-5-3-4-6-10(8)12/h3-7H,1-2H3,(H,13,14)
InChIKeyAQRDILWKNASMED-UHFFFAOYSA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-1,1-dimethylindene
CID 154967780
3,3-dimethyl-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]indene-1-carboxamide
CID 142855600
1-(1,3-dimethylinden-1-yl)ethanone
CID 12609224
4-(3,3-dimethylinden-1-yl)morpholine
CID 164528811
3,3-dimethyl-4-oxonaphthalene-1-carboxylate
CID 102011976
spiro[3H-naphthalene-4,4'-piperidine]-1-carboxylic acid
CID 59600606
3,3'-dimethylspiro[cyclopropane-2,1'-indene]-1-carboxylic acid
CID 21396448
2-(9-methylfluoren-9-yl)sulfanylacetic acid
CID 86076977
(6Z,8Z)-5,5,7-trimethyl-10-methylidenebenzo[8]annulene
CID 142604744
4-[(3,3-dimethylindol-1-ium-1-yl)methyl]benzoic acid
CID 134811639
1,1,4,4-tetramethylnaphthalen-2-ol
CID 172794366
methane;9-methylfluoren-9-ol
CID 160708378

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylindene-1-carboxylic acid?
The IUPAC name of 3,3-dimethylindene-1-carboxylic acid (CID 82075339) is 3,3-dimethylindene-1-carboxylic acid.
What is the SMILES notation for 3,3-dimethylindene-1-carboxylic acid?
The canonical SMILES for 3,3-dimethylindene-1-carboxylic acid is CC1(C)C=C(C(=O)O)c2ccccc21.
What is the InChIKey of 3,3-dimethylindene-1-carboxylic acid?
The InChIKey is AQRDILWKNASMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-12(2)7-9(11(13)14)8-5-3-4-6-10(8)12/h3-7H,1-2H3,(H,13,14).
What are the key properties of 3,3-dimethylindene-1-carboxylic acid?
3,3-dimethylindene-1-carboxylic acid has a molecular weight of 188.23 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylindene-1-carboxylic acid is sourced from PubChem (CID 82075339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).