7-hydroxy-6-methyl-6,7-dihydro-4H-cyclopenta[d][1,3]dioxin-5-one

C8H10O4 — CID 24975569

IUPAC7-hydroxy-6-methyl-6,7-dihydro-4H-cyclopenta[d][1,3]dioxin-5-one
SMILESCC1C(=O)C2=C(OCOC2)C1O
InChIInChI=1S/C8H10O4/c1-4-6(9)5-2-11-3-12-8(5)7(4)10/h4,7,10H,2-3H2,1H3
InChIKeyQDELZUNFQQHFKL-UHFFFAOYSA-N
MW170.16 g/mol
LogP-0.18
Rot. Bonds

About 7-hydroxy-6-methyl-6,7-dihydro-4H-cyclopenta[d][1,3]dioxin-5-one

7-hydroxy-6-methyl-6,7-dihydro-4H-cyclopenta[d][1,3]dioxin-5-one (PubChem CID 24975569) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 7-hydroxy-6-methyl-6,7-dihydro-4H-cyclopenta[d][1,3]dioxin-5-one.

Molecular Properties

Compound Name7-hydroxy-6-methyl-6,7-dihydro-4H-cyclopenta[d][1,3]dioxin-5-one
PubChem CID24975569
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name7-hydroxy-6-methyl-6,7-dihydro-4H-cyclopenta[d][1,3]dioxin-5-one
SMILESCC1C(=O)C2=C(OCOC2)C1O
InChIInChI=1S/C8H10O4/c1-4-6(9)5-2-11-3-12-8(5)7(4)10/h4,7,10H,2-3H2,1H3
InChIKeyQDELZUNFQQHFKL-UHFFFAOYSA-N
XLogP-0.18
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-methyl-6,7-dihydro-4H-cyclopenta[d][1,3]dioxin-5-one?
The IUPAC name of 7-hydroxy-6-methyl-6,7-dihydro-4H-cyclopenta[d][1,3]dioxin-5-one (CID 24975569) is 7-hydroxy-6-methyl-6,7-dihydro-4H-cyclopenta[d][1,3]dioxin-5-one.
What is the SMILES notation for 7-hydroxy-6-methyl-6,7-dihydro-4H-cyclopenta[d][1,3]dioxin-5-one?
The canonical SMILES for 7-hydroxy-6-methyl-6,7-dihydro-4H-cyclopenta[d][1,3]dioxin-5-one is CC1C(=O)C2=C(OCOC2)C1O.
What is the InChIKey of 7-hydroxy-6-methyl-6,7-dihydro-4H-cyclopenta[d][1,3]dioxin-5-one?
The InChIKey is QDELZUNFQQHFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-4-6(9)5-2-11-3-12-8(5)7(4)10/h4,7,10H,2-3H2,1H3.
What are the key properties of 7-hydroxy-6-methyl-6,7-dihydro-4H-cyclopenta[d][1,3]dioxin-5-one?
7-hydroxy-6-methyl-6,7-dihydro-4H-cyclopenta[d][1,3]dioxin-5-one has a molecular weight of 170.16 g/mol, XLogP of -0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-methyl-6,7-dihydro-4H-cyclopenta[d][1,3]dioxin-5-one is sourced from PubChem (CID 24975569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).