6'-propan-2-ylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one

C20H20O — CID 135036043

IUPAC6'-propan-2-ylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one
SMILESCC(C)c1ccc2c(c1)C(=O)CC21CCc2ccccc21
InChIInChI=1S/C20H20O/c1-13(2)15-7-8-18-16(11-15)19(21)12-20(18)10-9-14-5-3-4-6-17(14)20/h3-8,11,13H,9-10,12H2,1-2H3
InChIKeyUKMOKLUONUHQFV-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.63
Rot. Bonds1

About 6'-propan-2-ylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one

6'-propan-2-ylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one (PubChem CID 135036043) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is 6'-propan-2-ylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one.

Molecular Properties

Compound Name6'-propan-2-ylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one
PubChem CID135036043
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name6'-propan-2-ylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one
SMILESCC(C)c1ccc2c(c1)C(=O)CC21CCc2ccccc21
InChIInChI=1S/C20H20O/c1-13(2)15-7-8-18-16(11-15)19(21)12-20(18)10-9-14-5-3-4-6-17(14)20/h3-8,11,13H,9-10,12H2,1-2H3
InChIKeyUKMOKLUONUHQFV-UHFFFAOYSA-N
XLogP4.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6'-methylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one
CID 135045307
6-propan-2-ylspiro[2H-indene-3,1'-cyclopropane]-1-one
CID 83753374
3,3-dimethyl-6-propan-2-yl-2H-inden-1-one
CID 79837737
2-(1-methyl-3-oxo-5-propan-2-yl-2H-inden-1-yl)acetic acid
CID 82159460
7-propan-2-ylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one
CID 67143896
(1S,4aS)-1-(hydroxymethyl)-1,4a-dimethyl-7-propan-2-yl-3,4,10,10a-tetrahydrophenanthrene-2,9-dione
CID 10543293
4'-methoxy-6-propan-2-ylspiro[3H-indene-2,1'-cyclohexane]-1-one
CID 58197960
7-propan-2-ylspiro[4H-isochromene-3,4'-piperidin-1-ium]-1-one chloride
CID 137374615
12,23-di(propan-2-yl)-29,30-dioxaoctacyclo[14.10.2.21,8.02,7.08,28.09,14.019,27.021,26]triaconta-2,4,6,9(14),10,12,16(28),17,19(27),21(26),22,24-dodecaene-15,20-dione
CID 101228418
6-propan-2-yl-1H-isothiochromen-4-one
CID 82888792
(3S)-spiro[1,2-dihydroindene-3,3'-oxolane]-2',5'-dione
CID 129374458
2-methylidene-7-propan-2-yl-3,4-dihydronaphthalen-1-one
CID 82277850

Frequently Asked Questions

What is the IUPAC name of 6'-propan-2-ylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one?
The IUPAC name of 6'-propan-2-ylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one (CID 135036043) is 6'-propan-2-ylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one.
What is the SMILES notation for 6'-propan-2-ylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one?
The canonical SMILES for 6'-propan-2-ylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one is CC(C)c1ccc2c(c1)C(=O)CC21CCc2ccccc21.
What is the InChIKey of 6'-propan-2-ylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one?
The InChIKey is UKMOKLUONUHQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O/c1-13(2)15-7-8-18-16(11-15)19(21)12-20(18)10-9-14-5-3-4-6-17(14)20/h3-8,11,13H,9-10,12H2,1-2H3.
What are the key properties of 6'-propan-2-ylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one?
6'-propan-2-ylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one has a molecular weight of 276.38 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-propan-2-ylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one is sourced from PubChem (CID 135036043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).