8-acetyl-2,3,4,6,7,8-hexahydrochromen-5-one

C11H14O3 — CID 10845485

IUPAC8-acetyl-2,3,4,6,7,8-hexahydrochromen-5-one
SMILESCC(=O)C1CCC(=O)C2=C1OCCC2
InChIInChI=1S/C11H14O3/c1-7(12)8-4-5-10(13)9-3-2-6-14-11(8)9/h8H,2-6H2,1H3
InChIKeyWVUKJQZPMISNDY-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.62
Rot. Bonds1

About 8-acetyl-2,3,4,6,7,8-hexahydrochromen-5-one

8-acetyl-2,3,4,6,7,8-hexahydrochromen-5-one (PubChem CID 10845485) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 8-acetyl-2,3,4,6,7,8-hexahydrochromen-5-one.

Molecular Properties

Compound Name8-acetyl-2,3,4,6,7,8-hexahydrochromen-5-one
PubChem CID10845485
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name8-acetyl-2,3,4,6,7,8-hexahydrochromen-5-one
SMILESCC(=O)C1CCC(=O)C2=C1OCCC2
InChIInChI=1S/C11H14O3/c1-7(12)8-4-5-10(13)9-3-2-6-14-11(8)9/h8H,2-6H2,1H3
InChIKeyWVUKJQZPMISNDY-UHFFFAOYSA-N
XLogP1.62
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-butyl-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
CID 2137775
9-butyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
CID 2137779
(+)-Membrenone C
CID 11500929
Dihydrospiciferone A
CID 139590908
3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
CID 322714
2,3,5,6,7,8-Hexahydro-4H-1-benzopyran-4-one
CID 12326210
Octahydroxanthen-1,9-dione, 3,3,7,7,-tetramethyl-10-propyl-
CID 623556
4-Nonyl-4,6,7,8-tetrahydro-2H-chromene-2,5(3H)-dione
CID 365018
(-)-Membrenone C
CID 11484425
(8aR)-8a-(methoxymethyl)-5-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione
CID 12939570
9-methyl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
CID 13310305
9-ethyl-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
CID 25242071

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-2,3,4,6,7,8-hexahydrochromen-5-one?
The IUPAC name of 8-acetyl-2,3,4,6,7,8-hexahydrochromen-5-one (CID 10845485) is 8-acetyl-2,3,4,6,7,8-hexahydrochromen-5-one.
What is the SMILES notation for 8-acetyl-2,3,4,6,7,8-hexahydrochromen-5-one?
The canonical SMILES for 8-acetyl-2,3,4,6,7,8-hexahydrochromen-5-one is CC(=O)C1CCC(=O)C2=C1OCCC2.
What is the InChIKey of 8-acetyl-2,3,4,6,7,8-hexahydrochromen-5-one?
The InChIKey is WVUKJQZPMISNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-7(12)8-4-5-10(13)9-3-2-6-14-11(8)9/h8H,2-6H2,1H3.
What are the key properties of 8-acetyl-2,3,4,6,7,8-hexahydrochromen-5-one?
8-acetyl-2,3,4,6,7,8-hexahydrochromen-5-one has a molecular weight of 194.23 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-2,3,4,6,7,8-hexahydrochromen-5-one is sourced from PubChem (CID 10845485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).