3-ethyl-3-methyl-5-(2-methylbutan-2-yl)-2H-inden-1-one

C17H24O — CID 154721544

IUPAC3-ethyl-3-methyl-5-(2-methylbutan-2-yl)-2H-inden-1-one
SMILESCCC(C)(C)c1ccc2c(c1)C(C)(CC)CC2=O
InChIInChI=1S/C17H24O/c1-6-16(3,4)12-8-9-13-14(10-12)17(5,7-2)11-15(13)18/h8-10H,6-7,11H2,1-5H3
InChIKeyLJTADFSLKNAJPF-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.63
Rot. Bonds3

About 3-ethyl-3-methyl-5-(2-methylbutan-2-yl)-2H-inden-1-one

3-ethyl-3-methyl-5-(2-methylbutan-2-yl)-2H-inden-1-one (PubChem CID 154721544) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-ethyl-3-methyl-5-(2-methylbutan-2-yl)-2H-inden-1-one.

Molecular Properties

Compound Name3-ethyl-3-methyl-5-(2-methylbutan-2-yl)-2H-inden-1-one
PubChem CID154721544
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name3-ethyl-3-methyl-5-(2-methylbutan-2-yl)-2H-inden-1-one
SMILESCCC(C)(C)c1ccc2c(c1)C(C)(CC)CC2=O
InChIInChI=1S/C17H24O/c1-6-16(3,4)12-8-9-13-14(10-12)17(5,7-2)11-15(13)18/h8-10H,6-7,11H2,1-5H3
InChIKeyLJTADFSLKNAJPF-UHFFFAOYSA-N
XLogP4.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-5-(2-methylbutan-2-yl)-2H-inden-1-one?
The IUPAC name of 3-ethyl-3-methyl-5-(2-methylbutan-2-yl)-2H-inden-1-one (CID 154721544) is 3-ethyl-3-methyl-5-(2-methylbutan-2-yl)-2H-inden-1-one.
What is the SMILES notation for 3-ethyl-3-methyl-5-(2-methylbutan-2-yl)-2H-inden-1-one?
The canonical SMILES for 3-ethyl-3-methyl-5-(2-methylbutan-2-yl)-2H-inden-1-one is CCC(C)(C)c1ccc2c(c1)C(C)(CC)CC2=O.
What is the InChIKey of 3-ethyl-3-methyl-5-(2-methylbutan-2-yl)-2H-inden-1-one?
The InChIKey is LJTADFSLKNAJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-6-16(3,4)12-8-9-13-14(10-12)17(5,7-2)11-15(13)18/h8-10H,6-7,11H2,1-5H3.
What are the key properties of 3-ethyl-3-methyl-5-(2-methylbutan-2-yl)-2H-inden-1-one?
3-ethyl-3-methyl-5-(2-methylbutan-2-yl)-2H-inden-1-one has a molecular weight of 244.38 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-5-(2-methylbutan-2-yl)-2H-inden-1-one is sourced from PubChem (CID 154721544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).