3,3'-dimethylspiro[cyclopropane-2,1'-indene]-1-carboxylic acid

C14H14O2 — CID 21396448

IUPAC3,3'-dimethylspiro[cyclopropane-2,1'-indene]-1-carboxylic acid
SMILESCC1=CC2(c3ccccc31)C(C)C2C(=O)O
InChIInChI=1S/C14H14O2/c1-8-7-14(9(2)12(14)13(15)16)11-6-4-3-5-10(8)11/h3-7,9,12H,1-2H3,(H,15,16)
InChIKeyCEYHNSOUZSTVMF-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.69
Rot. Bonds1

About 3,3'-dimethylspiro[cyclopropane-2,1'-indene]-1-carboxylic acid

3,3'-dimethylspiro[cyclopropane-2,1'-indene]-1-carboxylic acid (PubChem CID 21396448) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3,3'-dimethylspiro[cyclopropane-2,1'-indene]-1-carboxylic acid.

Molecular Properties

Compound Name3,3'-dimethylspiro[cyclopropane-2,1'-indene]-1-carboxylic acid
PubChem CID21396448
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name3,3'-dimethylspiro[cyclopropane-2,1'-indene]-1-carboxylic acid
SMILESCC1=CC2(c3ccccc31)C(C)C2C(=O)O
InChIInChI=1S/C14H14O2/c1-8-7-14(9(2)12(14)13(15)16)11-6-4-3-5-10(8)11/h3-7,9,12H,1-2H3,(H,15,16)
InChIKeyCEYHNSOUZSTVMF-UHFFFAOYSA-N
XLogP2.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3'-dimethylspiro[cyclopropane-2,1'-indene]-1-carboxylic acid?
The IUPAC name of 3,3'-dimethylspiro[cyclopropane-2,1'-indene]-1-carboxylic acid (CID 21396448) is 3,3'-dimethylspiro[cyclopropane-2,1'-indene]-1-carboxylic acid.
What is the SMILES notation for 3,3'-dimethylspiro[cyclopropane-2,1'-indene]-1-carboxylic acid?
The canonical SMILES for 3,3'-dimethylspiro[cyclopropane-2,1'-indene]-1-carboxylic acid is CC1=CC2(c3ccccc31)C(C)C2C(=O)O.
What is the InChIKey of 3,3'-dimethylspiro[cyclopropane-2,1'-indene]-1-carboxylic acid?
The InChIKey is CEYHNSOUZSTVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-8-7-14(9(2)12(14)13(15)16)11-6-4-3-5-10(8)11/h3-7,9,12H,1-2H3,(H,15,16).
What are the key properties of 3,3'-dimethylspiro[cyclopropane-2,1'-indene]-1-carboxylic acid?
3,3'-dimethylspiro[cyclopropane-2,1'-indene]-1-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3'-dimethylspiro[cyclopropane-2,1'-indene]-1-carboxylic acid is sourced from PubChem (CID 21396448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).