2,2-dimethyl-1-(3-methyl-2,3-dihydro-1H-inden-4-yl)propan-1-one

C15H20O — CID 59505385

IUPAC2,2-dimethyl-1-(3-methyl-2,3-dihydro-1H-inden-4-yl)propan-1-one
SMILESCC1CCc2cccc(C(=O)C(C)(C)C)c21
InChIInChI=1S/C15H20O/c1-10-8-9-11-6-5-7-12(13(10)11)14(16)15(2,3)4/h5-7,10H,8-9H2,1-4H3
InChIKeyAECPRTSOCLNGFM-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.97
Rot. Bonds1

About 2,2-dimethyl-1-(3-methyl-2,3-dihydro-1H-inden-4-yl)propan-1-one

2,2-dimethyl-1-(3-methyl-2,3-dihydro-1H-inden-4-yl)propan-1-one (PubChem CID 59505385) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 2,2-dimethyl-1-(3-methyl-2,3-dihydro-1H-inden-4-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(3-methyl-2,3-dihydro-1H-inden-4-yl)propan-1-one
PubChem CID59505385
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name2,2-dimethyl-1-(3-methyl-2,3-dihydro-1H-inden-4-yl)propan-1-one
SMILESCC1CCc2cccc(C(=O)C(C)(C)C)c21
InChIInChI=1S/C15H20O/c1-10-8-9-11-6-5-7-12(13(10)11)14(16)15(2,3)4/h5-7,10H,8-9H2,1-4H3
InChIKeyAECPRTSOCLNGFM-UHFFFAOYSA-N
XLogP3.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(3-methyl-2,3-dihydro-1H-inden-4-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(3-methyl-2,3-dihydro-1H-inden-4-yl)propan-1-one (CID 59505385) is 2,2-dimethyl-1-(3-methyl-2,3-dihydro-1H-inden-4-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(3-methyl-2,3-dihydro-1H-inden-4-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(3-methyl-2,3-dihydro-1H-inden-4-yl)propan-1-one is CC1CCc2cccc(C(=O)C(C)(C)C)c21.
What is the InChIKey of 2,2-dimethyl-1-(3-methyl-2,3-dihydro-1H-inden-4-yl)propan-1-one?
The InChIKey is AECPRTSOCLNGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-10-8-9-11-6-5-7-12(13(10)11)14(16)15(2,3)4/h5-7,10H,8-9H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(3-methyl-2,3-dihydro-1H-inden-4-yl)propan-1-one?
2,2-dimethyl-1-(3-methyl-2,3-dihydro-1H-inden-4-yl)propan-1-one has a molecular weight of 216.32 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(3-methyl-2,3-dihydro-1H-inden-4-yl)propan-1-one is sourced from PubChem (CID 59505385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).