2-ethyl-2,4,5,7-tetramethylindene-1,3-dione

C15H18O2 — CID 18696708

IUPAC2-ethyl-2,4,5,7-tetramethylindene-1,3-dione
SMILESCCC1(C)C(=O)c2c(C)cc(C)c(C)c2C1=O
InChIInChI=1S/C15H18O2/c1-6-15(5)13(16)11-9(3)7-8(2)10(4)12(11)14(15)17/h7H,6H2,1-5H3
InChIKeyRHLZKCNPGWVTQQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.41
Rot. Bonds1

About 2-ethyl-2,4,5,7-tetramethylindene-1,3-dione

2-ethyl-2,4,5,7-tetramethylindene-1,3-dione (PubChem CID 18696708) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-ethyl-2,4,5,7-tetramethylindene-1,3-dione.

Molecular Properties

Compound Name2-ethyl-2,4,5,7-tetramethylindene-1,3-dione
PubChem CID18696708
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name2-ethyl-2,4,5,7-tetramethylindene-1,3-dione
SMILESCCC1(C)C(=O)c2c(C)cc(C)c(C)c2C1=O
InChIInChI=1S/C15H18O2/c1-6-15(5)13(16)11-9(3)7-8(2)10(4)12(11)14(15)17/h7H,6H2,1-5H3
InChIKeyRHLZKCNPGWVTQQ-UHFFFAOYSA-N
XLogP3.41
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,4,5,7-tetramethylindene-1,3-dione?
The IUPAC name of 2-ethyl-2,4,5,7-tetramethylindene-1,3-dione (CID 18696708) is 2-ethyl-2,4,5,7-tetramethylindene-1,3-dione.
What is the SMILES notation for 2-ethyl-2,4,5,7-tetramethylindene-1,3-dione?
The canonical SMILES for 2-ethyl-2,4,5,7-tetramethylindene-1,3-dione is CCC1(C)C(=O)c2c(C)cc(C)c(C)c2C1=O.
What is the InChIKey of 2-ethyl-2,4,5,7-tetramethylindene-1,3-dione?
The InChIKey is RHLZKCNPGWVTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-6-15(5)13(16)11-9(3)7-8(2)10(4)12(11)14(15)17/h7H,6H2,1-5H3.
What are the key properties of 2-ethyl-2,4,5,7-tetramethylindene-1,3-dione?
2-ethyl-2,4,5,7-tetramethylindene-1,3-dione has a molecular weight of 230.31 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,4,5,7-tetramethylindene-1,3-dione is sourced from PubChem (CID 18696708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).