4-methoxy-5,5,7-trimethylspiro[3a,4-dihydroindene-6,1'-cyclopropane]-1-one

C15H20O2 — CID 21305766

IUPAC4-methoxy-5,5,7-trimethylspiro[3a,4-dihydroindene-6,1'-cyclopropane]-1-one
SMILESCOC1C2C=CC(=O)C2=C(C)C2(CC2)C1(C)C
InChIInChI=1S/C15H20O2/c1-9-12-10(5-6-11(12)16)13(17-4)14(2,3)15(9)7-8-15/h5-6,10,13H,7-8H2,1-4H3
InChIKeyRKAKDHPAKJYSLE-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.89
Rot. Bonds1

About 4-methoxy-5,5,7-trimethylspiro[3a,4-dihydroindene-6,1'-cyclopropane]-1-one

4-methoxy-5,5,7-trimethylspiro[3a,4-dihydroindene-6,1'-cyclopropane]-1-one (PubChem CID 21305766) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4-methoxy-5,5,7-trimethylspiro[3a,4-dihydroindene-6,1'-cyclopropane]-1-one.

Molecular Properties

Compound Name4-methoxy-5,5,7-trimethylspiro[3a,4-dihydroindene-6,1'-cyclopropane]-1-one
PubChem CID21305766
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name4-methoxy-5,5,7-trimethylspiro[3a,4-dihydroindene-6,1'-cyclopropane]-1-one
SMILESCOC1C2C=CC(=O)C2=C(C)C2(CC2)C1(C)C
InChIInChI=1S/C15H20O2/c1-9-12-10(5-6-11(12)16)13(17-4)14(2,3)15(9)7-8-15/h5-6,10,13H,7-8H2,1-4H3
InChIKeyRKAKDHPAKJYSLE-UHFFFAOYSA-N
XLogP2.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5,5,7-trimethylspiro[3a,4-dihydroindene-6,1'-cyclopropane]-1-one?
The IUPAC name of 4-methoxy-5,5,7-trimethylspiro[3a,4-dihydroindene-6,1'-cyclopropane]-1-one (CID 21305766) is 4-methoxy-5,5,7-trimethylspiro[3a,4-dihydroindene-6,1'-cyclopropane]-1-one.
What is the SMILES notation for 4-methoxy-5,5,7-trimethylspiro[3a,4-dihydroindene-6,1'-cyclopropane]-1-one?
The canonical SMILES for 4-methoxy-5,5,7-trimethylspiro[3a,4-dihydroindene-6,1'-cyclopropane]-1-one is COC1C2C=CC(=O)C2=C(C)C2(CC2)C1(C)C.
What is the InChIKey of 4-methoxy-5,5,7-trimethylspiro[3a,4-dihydroindene-6,1'-cyclopropane]-1-one?
The InChIKey is RKAKDHPAKJYSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-9-12-10(5-6-11(12)16)13(17-4)14(2,3)15(9)7-8-15/h5-6,10,13H,7-8H2,1-4H3.
What are the key properties of 4-methoxy-5,5,7-trimethylspiro[3a,4-dihydroindene-6,1'-cyclopropane]-1-one?
4-methoxy-5,5,7-trimethylspiro[3a,4-dihydroindene-6,1'-cyclopropane]-1-one has a molecular weight of 232.32 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5,5,7-trimethylspiro[3a,4-dihydroindene-6,1'-cyclopropane]-1-one is sourced from PubChem (CID 21305766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).