ethane;6-ethyl-2-methyl-2,3-dihydroinden-1-one

C14H20O — CID 143747856

IUPACethane;6-ethyl-2-methyl-2,3-dihydroinden-1-one
SMILESCC.CCc1ccc2c(c1)C(=O)C(C)C2
InChIInChI=1S/C12H14O.C2H6/c1-3-9-4-5-10-6-8(2)12(13)11(10)7-9;1-2/h4-5,7-8H,3,6H2,1-2H3;1-2H3
InChIKeyCNLFEPNUIKZUEB-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.65
Rot. Bonds1

About ethane;6-ethyl-2-methyl-2,3-dihydroinden-1-one

ethane;6-ethyl-2-methyl-2,3-dihydroinden-1-one (PubChem CID 143747856) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is ethane;6-ethyl-2-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Nameethane;6-ethyl-2-methyl-2,3-dihydroinden-1-one
PubChem CID143747856
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Nameethane;6-ethyl-2-methyl-2,3-dihydroinden-1-one
SMILESCC.CCc1ccc2c(c1)C(=O)C(C)C2
InChIInChI=1S/C12H14O.C2H6/c1-3-9-4-5-10-6-8(2)12(13)11(10)7-9;1-2/h4-5,7-8H,3,6H2,1-2H3;1-2H3
InChIKeyCNLFEPNUIKZUEB-UHFFFAOYSA-N
XLogP3.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-2-methyl-2,3-dihydroinden-1-one?
The IUPAC name of ethane;6-ethyl-2-methyl-2,3-dihydroinden-1-one (CID 143747856) is ethane;6-ethyl-2-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for ethane;6-ethyl-2-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for ethane;6-ethyl-2-methyl-2,3-dihydroinden-1-one is CC.CCc1ccc2c(c1)C(=O)C(C)C2.
What is the InChIKey of ethane;6-ethyl-2-methyl-2,3-dihydroinden-1-one?
The InChIKey is CNLFEPNUIKZUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O.C2H6/c1-3-9-4-5-10-6-8(2)12(13)11(10)7-9;1-2/h4-5,7-8H,3,6H2,1-2H3;1-2H3.
What are the key properties of ethane;6-ethyl-2-methyl-2,3-dihydroinden-1-one?
ethane;6-ethyl-2-methyl-2,3-dihydroinden-1-one has a molecular weight of 204.31 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-2-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 143747856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).