1,1,3,3-tetramethylinden-2-one

C13H16O — CID 21889

IUPAC1,1,3,3-tetramethylinden-2-one
SMILESCC1(C)C(=O)C(C)(C)c2ccccc21
InChIInChI=1S/C13H16O/c1-12(2)9-7-5-6-8-10(9)13(3,4)11(12)14/h5-8H,1-4H3
InChIKeyKBFUPRLHCWUTGK-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.82
Rot. Bonds

About 1,1,3,3-tetramethylinden-2-one

1,1,3,3-tetramethylinden-2-one (PubChem CID 21889) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 1,1,3,3-tetramethylinden-2-one.

Molecular Properties

Compound Name1,1,3,3-tetramethylinden-2-one
PubChem CID21889
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name1,1,3,3-tetramethylinden-2-one
SMILESCC1(C)C(=O)C(C)(C)c2ccccc21
InChIInChI=1S/C13H16O/c1-12(2)9-7-5-6-8-10(9)13(3,4)11(12)14/h5-8H,1-4H3
InChIKeyKBFUPRLHCWUTGK-UHFFFAOYSA-N
XLogP2.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethylinden-2-one?
The IUPAC name of 1,1,3,3-tetramethylinden-2-one (CID 21889) is 1,1,3,3-tetramethylinden-2-one.
What is the SMILES notation for 1,1,3,3-tetramethylinden-2-one?
The canonical SMILES for 1,1,3,3-tetramethylinden-2-one is CC1(C)C(=O)C(C)(C)c2ccccc21.
What is the InChIKey of 1,1,3,3-tetramethylinden-2-one?
The InChIKey is KBFUPRLHCWUTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-12(2)9-7-5-6-8-10(9)13(3,4)11(12)14/h5-8H,1-4H3.
What are the key properties of 1,1,3,3-tetramethylinden-2-one?
1,1,3,3-tetramethylinden-2-one has a molecular weight of 188.27 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethylinden-2-one is sourced from PubChem (CID 21889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).