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

C15H16O2 — CID 90362386

IUPACmethyl 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate
SMILESCOC(=O)C1C(C)(C)C12C=Cc1ccccc12
InChIInChI=1S/C15H16O2/c1-14(2)12(13(16)17-3)15(14)9-8-10-6-4-5-7-11(10)15/h4-9,12H,1-3H3
InChIKeyCKYIIKLSTYYFKM-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.78
Rot. Bonds1

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

methyl 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate (PubChem CID 90362386) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate.

Molecular Properties

Compound Namemethyl 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate
PubChem CID90362386
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Namemethyl 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate
SMILESCOC(=O)C1C(C)(C)C12C=Cc1ccccc12
InChIInChI=1S/C15H16O2/c1-14(2)12(13(16)17-3)15(14)9-8-10-6-4-5-7-11(10)15/h4-9,12H,1-3H3
InChIKeyCKYIIKLSTYYFKM-UHFFFAOYSA-N
XLogP2.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate?
The IUPAC name of methyl 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate (CID 90362386) is methyl 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate.
What is the SMILES notation for methyl 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate?
The canonical SMILES for methyl 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate is COC(=O)C1C(C)(C)C12C=Cc1ccccc12.
What is the InChIKey of methyl 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate?
The InChIKey is CKYIIKLSTYYFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-14(2)12(13(16)17-3)15(14)9-8-10-6-4-5-7-11(10)15/h4-9,12H,1-3H3.
What are the key properties of methyl 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate?
methyl 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate is sourced from PubChem (CID 90362386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).