1-(2,3-dihydro-1H-inden-2-yl)-3,4,4-trimethylpentan-1-one

C17H24O — CID 106893048

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-3,4,4-trimethylpentan-1-one
SMILESCC(CC(=O)C1Cc2ccccc2C1)C(C)(C)C
InChIInChI=1S/C17H24O/c1-12(17(2,3)4)9-16(18)15-10-13-7-5-6-8-14(13)11-15/h5-8,12,15H,9-11H2,1-4H3
InChIKeyNJIKTDQYBJKRRG-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.04
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-2-yl)-3,4,4-trimethylpentan-1-one

1-(2,3-dihydro-1H-inden-2-yl)-3,4,4-trimethylpentan-1-one (PubChem CID 106893048) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-3,4,4-trimethylpentan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-3,4,4-trimethylpentan-1-one
PubChem CID106893048
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-3,4,4-trimethylpentan-1-one
SMILESCC(CC(=O)C1Cc2ccccc2C1)C(C)(C)C
InChIInChI=1S/C17H24O/c1-12(17(2,3)4)9-16(18)15-10-13-7-5-6-8-14(13)11-15/h5-8,12,15H,9-11H2,1-4H3
InChIKeyNJIKTDQYBJKRRG-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3,4,4-trimethylpentan-1-one?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3,4,4-trimethylpentan-1-one (CID 106893048) is 1-(2,3-dihydro-1H-inden-2-yl)-3,4,4-trimethylpentan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-3,4,4-trimethylpentan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-3,4,4-trimethylpentan-1-one is CC(CC(=O)C1Cc2ccccc2C1)C(C)(C)C.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-3,4,4-trimethylpentan-1-one?
The InChIKey is NJIKTDQYBJKRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-12(17(2,3)4)9-16(18)15-10-13-7-5-6-8-14(13)11-15/h5-8,12,15H,9-11H2,1-4H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-3,4,4-trimethylpentan-1-one?
1-(2,3-dihydro-1H-inden-2-yl)-3,4,4-trimethylpentan-1-one has a molecular weight of 244.38 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-3,4,4-trimethylpentan-1-one is sourced from PubChem (CID 106893048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).