(2'R,4'S)-2',3',4'-trimethylspiro[2H-indene-3,1'-cyclobutane]-1-one

C15H18O — CID 135173286

IUPAC(2'R,4'S)-2',3',4'-trimethylspiro[2H-indene-3,1'-cyclobutane]-1-one
SMILESCC1[C@@H](C)C2(CC(=O)c3ccccc32)[C@H]1C
InChIInChI=1S/C15H18O/c1-9-10(2)15(11(9)3)8-14(16)12-6-4-5-7-13(12)15/h4-7,9-11H,8H2,1-3H3/t9?,10-,11+,15?
InChIKeyKICCJAPJGPUESR-HTJOTKDVSA-N
MW214.31 g/mol
LogP3.43
Rot. Bonds

About (2'R,4'S)-2',3',4'-trimethylspiro[2H-indene-3,1'-cyclobutane]-1-one

(2'R,4'S)-2',3',4'-trimethylspiro[2H-indene-3,1'-cyclobutane]-1-one (PubChem CID 135173286) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is (2'R,4'S)-2',3',4'-trimethylspiro[2H-indene-3,1'-cyclobutane]-1-one.

Molecular Properties

Compound Name(2'R,4'S)-2',3',4'-trimethylspiro[2H-indene-3,1'-cyclobutane]-1-one
PubChem CID135173286
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name(2'R,4'S)-2',3',4'-trimethylspiro[2H-indene-3,1'-cyclobutane]-1-one
SMILESCC1[C@@H](C)C2(CC(=O)c3ccccc32)[C@H]1C
InChIInChI=1S/C15H18O/c1-9-10(2)15(11(9)3)8-14(16)12-6-4-5-7-13(12)15/h4-7,9-11H,8H2,1-3H3/t9?,10-,11+,15?
InChIKeyKICCJAPJGPUESR-HTJOTKDVSA-N
XLogP3.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2'R,4'S)-2',3',4'-trimethylspiro[2H-indene-3,1'-cyclobutane]-1-one?
The IUPAC name of (2'R,4'S)-2',3',4'-trimethylspiro[2H-indene-3,1'-cyclobutane]-1-one (CID 135173286) is (2'R,4'S)-2',3',4'-trimethylspiro[2H-indene-3,1'-cyclobutane]-1-one.
What is the SMILES notation for (2'R,4'S)-2',3',4'-trimethylspiro[2H-indene-3,1'-cyclobutane]-1-one?
The canonical SMILES for (2'R,4'S)-2',3',4'-trimethylspiro[2H-indene-3,1'-cyclobutane]-1-one is CC1[C@@H](C)C2(CC(=O)c3ccccc32)[C@H]1C.
What is the InChIKey of (2'R,4'S)-2',3',4'-trimethylspiro[2H-indene-3,1'-cyclobutane]-1-one?
The InChIKey is KICCJAPJGPUESR-HTJOTKDVSA-N. The full InChI is InChI=1S/C15H18O/c1-9-10(2)15(11(9)3)8-14(16)12-6-4-5-7-13(12)15/h4-7,9-11H,8H2,1-3H3/t9?,10-,11+,15?.
What are the key properties of (2'R,4'S)-2',3',4'-trimethylspiro[2H-indene-3,1'-cyclobutane]-1-one?
(2'R,4'S)-2',3',4'-trimethylspiro[2H-indene-3,1'-cyclobutane]-1-one has a molecular weight of 214.31 g/mol, XLogP of 3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,4'S)-2',3',4'-trimethylspiro[2H-indene-3,1'-cyclobutane]-1-one is sourced from PubChem (CID 135173286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).