propan-2-yl 2',2'-dimethylspiro[1,2-dihydroindene-3,3'-cyclopropane]-1'-carboxylate

C17H22O2 — CID 90361309

IUPACpropan-2-yl 2',2'-dimethylspiro[1,2-dihydroindene-3,3'-cyclopropane]-1'-carboxylate
SMILESCC(C)OC(=O)C1C(C)(C)C12CCc1ccccc12
InChIInChI=1S/C17H22O2/c1-11(2)19-15(18)14-16(3,4)17(14)10-9-12-7-5-6-8-13(12)17/h5-8,11,14H,9-10H2,1-4H3
InChIKeyMIOISRKMMQIWFY-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.48
Rot. Bonds2

About propan-2-yl 2',2'-dimethylspiro[1,2-dihydroindene-3,3'-cyclopropane]-1'-carboxylate

propan-2-yl 2',2'-dimethylspiro[1,2-dihydroindene-3,3'-cyclopropane]-1'-carboxylate (PubChem CID 90361309) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is propan-2-yl 2',2'-dimethylspiro[1,2-dihydroindene-3,3'-cyclopropane]-1'-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2',2'-dimethylspiro[1,2-dihydroindene-3,3'-cyclopropane]-1'-carboxylate
PubChem CID90361309
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Namepropan-2-yl 2',2'-dimethylspiro[1,2-dihydroindene-3,3'-cyclopropane]-1'-carboxylate
SMILESCC(C)OC(=O)C1C(C)(C)C12CCc1ccccc12
InChIInChI=1S/C17H22O2/c1-11(2)19-15(18)14-16(3,4)17(14)10-9-12-7-5-6-8-13(12)17/h5-8,11,14H,9-10H2,1-4H3
InChIKeyMIOISRKMMQIWFY-UHFFFAOYSA-N
XLogP3.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2',2'-dimethylspiro[1,2-dihydroindene-3,3'-cyclopropane]-1'-carboxylate?
The IUPAC name of propan-2-yl 2',2'-dimethylspiro[1,2-dihydroindene-3,3'-cyclopropane]-1'-carboxylate (CID 90361309) is propan-2-yl 2',2'-dimethylspiro[1,2-dihydroindene-3,3'-cyclopropane]-1'-carboxylate.
What is the SMILES notation for propan-2-yl 2',2'-dimethylspiro[1,2-dihydroindene-3,3'-cyclopropane]-1'-carboxylate?
The canonical SMILES for propan-2-yl 2',2'-dimethylspiro[1,2-dihydroindene-3,3'-cyclopropane]-1'-carboxylate is CC(C)OC(=O)C1C(C)(C)C12CCc1ccccc12.
What is the InChIKey of propan-2-yl 2',2'-dimethylspiro[1,2-dihydroindene-3,3'-cyclopropane]-1'-carboxylate?
The InChIKey is MIOISRKMMQIWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-11(2)19-15(18)14-16(3,4)17(14)10-9-12-7-5-6-8-13(12)17/h5-8,11,14H,9-10H2,1-4H3.
What are the key properties of propan-2-yl 2',2'-dimethylspiro[1,2-dihydroindene-3,3'-cyclopropane]-1'-carboxylate?
propan-2-yl 2',2'-dimethylspiro[1,2-dihydroindene-3,3'-cyclopropane]-1'-carboxylate has a molecular weight of 258.36 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2',2'-dimethylspiro[1,2-dihydroindene-3,3'-cyclopropane]-1'-carboxylate is sourced from PubChem (CID 90361309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).