4,7-ditert-butyl-1,3-dihydroinden-2-one

C17H24O — CID 71145963

IUPAC4,7-ditert-butyl-1,3-dihydroinden-2-one
SMILESCC(C)(C)c1ccc(C(C)(C)C)c2c1CC(=O)C2
InChIInChI=1S/C17H24O/c1-16(2,3)14-7-8-15(17(4,5)6)13-10-11(18)9-12(13)14/h7-8H,9-10H2,1-6H3
InChIKeyLAZKZWUHGSKWRQ-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.95
Rot. Bonds

About 4,7-ditert-butyl-1,3-dihydroinden-2-one

4,7-ditert-butyl-1,3-dihydroinden-2-one (PubChem CID 71145963) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 4,7-ditert-butyl-1,3-dihydroinden-2-one.

Molecular Properties

Compound Name4,7-ditert-butyl-1,3-dihydroinden-2-one
PubChem CID71145963
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name4,7-ditert-butyl-1,3-dihydroinden-2-one
SMILESCC(C)(C)c1ccc(C(C)(C)C)c2c1CC(=O)C2
InChIInChI=1S/C17H24O/c1-16(2,3)14-7-8-15(17(4,5)6)13-10-11(18)9-12(13)14/h7-8H,9-10H2,1-6H3
InChIKeyLAZKZWUHGSKWRQ-UHFFFAOYSA-N
XLogP3.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,7-ditert-butyl-1,3-dihydroinden-2-one?
The IUPAC name of 4,7-ditert-butyl-1,3-dihydroinden-2-one (CID 71145963) is 4,7-ditert-butyl-1,3-dihydroinden-2-one.
What is the SMILES notation for 4,7-ditert-butyl-1,3-dihydroinden-2-one?
The canonical SMILES for 4,7-ditert-butyl-1,3-dihydroinden-2-one is CC(C)(C)c1ccc(C(C)(C)C)c2c1CC(=O)C2.
What is the InChIKey of 4,7-ditert-butyl-1,3-dihydroinden-2-one?
The InChIKey is LAZKZWUHGSKWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-16(2,3)14-7-8-15(17(4,5)6)13-10-11(18)9-12(13)14/h7-8H,9-10H2,1-6H3.
What are the key properties of 4,7-ditert-butyl-1,3-dihydroinden-2-one?
4,7-ditert-butyl-1,3-dihydroinden-2-one has a molecular weight of 244.38 g/mol, XLogP of 3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-ditert-butyl-1,3-dihydroinden-2-one is sourced from PubChem (CID 71145963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).