5,6,8,8a-tetrahydrochromen-7-one

C9H10O2 — CID 54394606

IUPAC5,6,8,8a-tetrahydrochromen-7-one
SMILESO=C1CCC2=CC=COC2C1
InChIInChI=1S/C9H10O2/c10-8-4-3-7-2-1-5-11-9(7)6-8/h1-2,5,9H,3-4,6H2
InChIKeyJSIVFRHGISXLIL-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.58
Rot. Bonds

About 5,6,8,8a-tetrahydrochromen-7-one

5,6,8,8a-tetrahydrochromen-7-one (PubChem CID 54394606) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 5,6,8,8a-tetrahydrochromen-7-one.

Molecular Properties

Compound Name5,6,8,8a-tetrahydrochromen-7-one
PubChem CID54394606
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name5,6,8,8a-tetrahydrochromen-7-one
SMILESO=C1CCC2=CC=COC2C1
InChIInChI=1S/C9H10O2/c10-8-4-3-7-2-1-5-11-9(7)6-8/h1-2,5,9H,3-4,6H2
InChIKeyJSIVFRHGISXLIL-UHFFFAOYSA-N
XLogP1.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6,8,8a-tetrahydrochromen-7-one?
The IUPAC name of 5,6,8,8a-tetrahydrochromen-7-one (CID 54394606) is 5,6,8,8a-tetrahydrochromen-7-one.
What is the SMILES notation for 5,6,8,8a-tetrahydrochromen-7-one?
The canonical SMILES for 5,6,8,8a-tetrahydrochromen-7-one is O=C1CCC2=CC=COC2C1.
What is the InChIKey of 5,6,8,8a-tetrahydrochromen-7-one?
The InChIKey is JSIVFRHGISXLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c10-8-4-3-7-2-1-5-11-9(7)6-8/h1-2,5,9H,3-4,6H2.
What are the key properties of 5,6,8,8a-tetrahydrochromen-7-one?
5,6,8,8a-tetrahydrochromen-7-one has a molecular weight of 150.18 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,8,8a-tetrahydrochromen-7-one is sourced from PubChem (CID 54394606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).