1,3,3,4-tetramethyl-2,6,7,7a-tetrahydro-1H-inden-5-one

C13H20O — CID 71389537

IUPAC1,3,3,4-tetramethyl-2,6,7,7a-tetrahydro-1H-inden-5-one
SMILESCC1=C2C(CCC1=O)C(C)CC2(C)C
InChIInChI=1S/C13H20O/c1-8-7-13(3,4)12-9(2)11(14)6-5-10(8)12/h8,10H,5-7H2,1-4H3
InChIKeyLVPNYISTRYFGLL-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.35
Rot. Bonds

About 1,3,3,4-tetramethyl-2,6,7,7a-tetrahydro-1H-inden-5-one

1,3,3,4-tetramethyl-2,6,7,7a-tetrahydro-1H-inden-5-one (PubChem CID 71389537) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1,3,3,4-tetramethyl-2,6,7,7a-tetrahydro-1H-inden-5-one.

Molecular Properties

Compound Name1,3,3,4-tetramethyl-2,6,7,7a-tetrahydro-1H-inden-5-one
PubChem CID71389537
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1,3,3,4-tetramethyl-2,6,7,7a-tetrahydro-1H-inden-5-one
SMILESCC1=C2C(CCC1=O)C(C)CC2(C)C
InChIInChI=1S/C13H20O/c1-8-7-13(3,4)12-9(2)11(14)6-5-10(8)12/h8,10H,5-7H2,1-4H3
InChIKeyLVPNYISTRYFGLL-UHFFFAOYSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,3,4-tetramethyl-2,6,7,7a-tetrahydro-1H-inden-5-one?
The IUPAC name of 1,3,3,4-tetramethyl-2,6,7,7a-tetrahydro-1H-inden-5-one (CID 71389537) is 1,3,3,4-tetramethyl-2,6,7,7a-tetrahydro-1H-inden-5-one.
What is the SMILES notation for 1,3,3,4-tetramethyl-2,6,7,7a-tetrahydro-1H-inden-5-one?
The canonical SMILES for 1,3,3,4-tetramethyl-2,6,7,7a-tetrahydro-1H-inden-5-one is CC1=C2C(CCC1=O)C(C)CC2(C)C.
What is the InChIKey of 1,3,3,4-tetramethyl-2,6,7,7a-tetrahydro-1H-inden-5-one?
The InChIKey is LVPNYISTRYFGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-8-7-13(3,4)12-9(2)11(14)6-5-10(8)12/h8,10H,5-7H2,1-4H3.
What are the key properties of 1,3,3,4-tetramethyl-2,6,7,7a-tetrahydro-1H-inden-5-one?
1,3,3,4-tetramethyl-2,6,7,7a-tetrahydro-1H-inden-5-one has a molecular weight of 192.30 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4-tetramethyl-2,6,7,7a-tetrahydro-1H-inden-5-one is sourced from PubChem (CID 71389537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).