1-(2,2,3,3,4-pentamethyl-1H-inden-5-yl)ethanone

C16H22O — CID 59977850

IUPAC1-(2,2,3,3,4-pentamethyl-1H-inden-5-yl)ethanone
SMILESCC(=O)c1ccc2c(c1C)C(C)(C)C(C)(C)C2
InChIInChI=1S/C16H22O/c1-10-13(11(2)17)8-7-12-9-15(3,4)16(5,6)14(10)12/h7-8H,9H2,1-6H3
InChIKeyJGOLNYRDDQBECS-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.06
Rot. Bonds1

About 1-(2,2,3,3,4-pentamethyl-1H-inden-5-yl)ethanone

1-(2,2,3,3,4-pentamethyl-1H-inden-5-yl)ethanone (PubChem CID 59977850) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(2,2,3,3,4-pentamethyl-1H-inden-5-yl)ethanone.

Molecular Properties

Compound Name1-(2,2,3,3,4-pentamethyl-1H-inden-5-yl)ethanone
PubChem CID59977850
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name1-(2,2,3,3,4-pentamethyl-1H-inden-5-yl)ethanone
SMILESCC(=O)c1ccc2c(c1C)C(C)(C)C(C)(C)C2
InChIInChI=1S/C16H22O/c1-10-13(11(2)17)8-7-12-9-15(3,4)16(5,6)14(10)12/h7-8H,9H2,1-6H3
InChIKeyJGOLNYRDDQBECS-UHFFFAOYSA-N
XLogP4.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3,4-pentamethyl-1H-inden-5-yl)ethanone?
The IUPAC name of 1-(2,2,3,3,4-pentamethyl-1H-inden-5-yl)ethanone (CID 59977850) is 1-(2,2,3,3,4-pentamethyl-1H-inden-5-yl)ethanone.
What is the SMILES notation for 1-(2,2,3,3,4-pentamethyl-1H-inden-5-yl)ethanone?
The canonical SMILES for 1-(2,2,3,3,4-pentamethyl-1H-inden-5-yl)ethanone is CC(=O)c1ccc2c(c1C)C(C)(C)C(C)(C)C2.
What is the InChIKey of 1-(2,2,3,3,4-pentamethyl-1H-inden-5-yl)ethanone?
The InChIKey is JGOLNYRDDQBECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-10-13(11(2)17)8-7-12-9-15(3,4)16(5,6)14(10)12/h7-8H,9H2,1-6H3.
What are the key properties of 1-(2,2,3,3,4-pentamethyl-1H-inden-5-yl)ethanone?
1-(2,2,3,3,4-pentamethyl-1H-inden-5-yl)ethanone has a molecular weight of 230.35 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3,4-pentamethyl-1H-inden-5-yl)ethanone is sourced from PubChem (CID 59977850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).