ethyl 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate

C16H18O2 — CID 6455154

IUPACethyl 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate
SMILESCCOC(=O)C1C(C)(C)C12C=Cc1ccccc12
InChIInChI=1S/C16H18O2/c1-4-18-14(17)13-15(2,3)16(13)10-9-11-7-5-6-8-12(11)16/h5-10,13H,4H2,1-3H3
InChIKeyILSQQIOQNIKPAG-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.17
Rot. Bonds2

About ethyl 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate

ethyl 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate (PubChem CID 6455154) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is ethyl 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate.

Molecular Properties

Compound Nameethyl 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate
PubChem CID6455154
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Nameethyl 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate
SMILESCCOC(=O)C1C(C)(C)C12C=Cc1ccccc12
InChIInChI=1S/C16H18O2/c1-4-18-14(17)13-15(2,3)16(13)10-9-11-7-5-6-8-12(11)16/h5-10,13H,4H2,1-3H3
InChIKeyILSQQIOQNIKPAG-UHFFFAOYSA-N
XLogP3.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate?
The IUPAC name of ethyl 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate (CID 6455154) is ethyl 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate.
What is the SMILES notation for ethyl 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate?
The canonical SMILES for ethyl 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate is CCOC(=O)C1C(C)(C)C12C=Cc1ccccc12.
What is the InChIKey of ethyl 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate?
The InChIKey is ILSQQIOQNIKPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-4-18-14(17)13-15(2,3)16(13)10-9-11-7-5-6-8-12(11)16/h5-10,13H,4H2,1-3H3.
What are the key properties of ethyl 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate?
ethyl 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate is sourced from PubChem (CID 6455154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).