6-butan-2-yl-3,3-dimethyl-2H-inden-1-one

C15H20O — CID 79837924

IUPAC6-butan-2-yl-3,3-dimethyl-2H-inden-1-one
SMILESCCC(C)c1ccc2c(c1)C(=O)CC2(C)C
InChIInChI=1S/C15H20O/c1-5-10(2)11-6-7-13-12(8-11)14(16)9-15(13,3)4/h6-8,10H,5,9H2,1-4H3
InChIKeyDMTARSKYAWNGRR-UHFFFAOYSA-N
MW216.32 g/mol
LogP4.06
Rot. Bonds2

About 6-butan-2-yl-3,3-dimethyl-2H-inden-1-one

6-butan-2-yl-3,3-dimethyl-2H-inden-1-one (PubChem CID 79837924) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 6-butan-2-yl-3,3-dimethyl-2H-inden-1-one.

Molecular Properties

Compound Name6-butan-2-yl-3,3-dimethyl-2H-inden-1-one
PubChem CID79837924
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name6-butan-2-yl-3,3-dimethyl-2H-inden-1-one
SMILESCCC(C)c1ccc2c(c1)C(=O)CC2(C)C
InChIInChI=1S/C15H20O/c1-5-10(2)11-6-7-13-12(8-11)14(16)9-15(13,3)4/h6-8,10H,5,9H2,1-4H3
InChIKeyDMTARSKYAWNGRR-UHFFFAOYSA-N
XLogP4.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-3,3-dimethyl-2H-inden-1-one?
The IUPAC name of 6-butan-2-yl-3,3-dimethyl-2H-inden-1-one (CID 79837924) is 6-butan-2-yl-3,3-dimethyl-2H-inden-1-one.
What is the SMILES notation for 6-butan-2-yl-3,3-dimethyl-2H-inden-1-one?
The canonical SMILES for 6-butan-2-yl-3,3-dimethyl-2H-inden-1-one is CCC(C)c1ccc2c(c1)C(=O)CC2(C)C.
What is the InChIKey of 6-butan-2-yl-3,3-dimethyl-2H-inden-1-one?
The InChIKey is DMTARSKYAWNGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-5-10(2)11-6-7-13-12(8-11)14(16)9-15(13,3)4/h6-8,10H,5,9H2,1-4H3.
What are the key properties of 6-butan-2-yl-3,3-dimethyl-2H-inden-1-one?
6-butan-2-yl-3,3-dimethyl-2H-inden-1-one has a molecular weight of 216.32 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-3,3-dimethyl-2H-inden-1-one is sourced from PubChem (CID 79837924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).