5,5a,9-trimethyl-2,3,4,6-tetrahydroindeno[1,2-b]pyran-7-one

C15H18O2 — CID 71446239

IUPAC5,5a,9-trimethyl-2,3,4,6-tetrahydroindeno[1,2-b]pyran-7-one
SMILESCC1=CC(=O)CC2(C)C(C)=C3CCCOC3=C12
InChIInChI=1S/C15H18O2/c1-9-7-11(16)8-15(3)10(2)12-5-4-6-17-14(12)13(9)15/h7H,4-6,8H2,1-3H3
InChIKeyMMPLTFBIHUVVSI-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.31
Rot. Bonds

About 5,5a,9-trimethyl-2,3,4,6-tetrahydroindeno[1,2-b]pyran-7-one

5,5a,9-trimethyl-2,3,4,6-tetrahydroindeno[1,2-b]pyran-7-one (PubChem CID 71446239) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5,5a,9-trimethyl-2,3,4,6-tetrahydroindeno[1,2-b]pyran-7-one.

Molecular Properties

Compound Name5,5a,9-trimethyl-2,3,4,6-tetrahydroindeno[1,2-b]pyran-7-one
PubChem CID71446239
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name5,5a,9-trimethyl-2,3,4,6-tetrahydroindeno[1,2-b]pyran-7-one
SMILESCC1=CC(=O)CC2(C)C(C)=C3CCCOC3=C12
InChIInChI=1S/C15H18O2/c1-9-7-11(16)8-15(3)10(2)12-5-4-6-17-14(12)13(9)15/h7H,4-6,8H2,1-3H3
InChIKeyMMPLTFBIHUVVSI-UHFFFAOYSA-N
XLogP3.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5a,9-trimethyl-2,3,4,6-tetrahydroindeno[1,2-b]pyran-7-one?
The IUPAC name of 5,5a,9-trimethyl-2,3,4,6-tetrahydroindeno[1,2-b]pyran-7-one (CID 71446239) is 5,5a,9-trimethyl-2,3,4,6-tetrahydroindeno[1,2-b]pyran-7-one.
What is the SMILES notation for 5,5a,9-trimethyl-2,3,4,6-tetrahydroindeno[1,2-b]pyran-7-one?
The canonical SMILES for 5,5a,9-trimethyl-2,3,4,6-tetrahydroindeno[1,2-b]pyran-7-one is CC1=CC(=O)CC2(C)C(C)=C3CCCOC3=C12.
What is the InChIKey of 5,5a,9-trimethyl-2,3,4,6-tetrahydroindeno[1,2-b]pyran-7-one?
The InChIKey is MMPLTFBIHUVVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-9-7-11(16)8-15(3)10(2)12-5-4-6-17-14(12)13(9)15/h7H,4-6,8H2,1-3H3.
What are the key properties of 5,5a,9-trimethyl-2,3,4,6-tetrahydroindeno[1,2-b]pyran-7-one?
5,5a,9-trimethyl-2,3,4,6-tetrahydroindeno[1,2-b]pyran-7-one has a molecular weight of 230.31 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5a,9-trimethyl-2,3,4,6-tetrahydroindeno[1,2-b]pyran-7-one is sourced from PubChem (CID 71446239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).