6-hydroxy-6-methyl-4,7-dihydrocyclopenta[d][1,3]dioxin-5-one

C8H10O4 — CID 24975565

IUPAC6-hydroxy-6-methyl-4,7-dihydrocyclopenta[d][1,3]dioxin-5-one
SMILESCC1(O)CC2=C(COCO2)C1=O
InChIInChI=1S/C8H10O4/c1-8(10)2-6-5(7(8)9)3-11-4-12-6/h10H,2-4H2,1H3
InChIKeyPPRCACNMQSOUPY-UHFFFAOYSA-N
MW170.16 g/mol
LogP-0.03
Rot. Bonds

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

6-hydroxy-6-methyl-4,7-dihydrocyclopenta[d][1,3]dioxin-5-one (PubChem CID 24975565) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 6-hydroxy-6-methyl-4,7-dihydrocyclopenta[d][1,3]dioxin-5-one.

Molecular Properties

Compound Name6-hydroxy-6-methyl-4,7-dihydrocyclopenta[d][1,3]dioxin-5-one
PubChem CID24975565
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name6-hydroxy-6-methyl-4,7-dihydrocyclopenta[d][1,3]dioxin-5-one
SMILESCC1(O)CC2=C(COCO2)C1=O
InChIInChI=1S/C8H10O4/c1-8(10)2-6-5(7(8)9)3-11-4-12-6/h10H,2-4H2,1H3
InChIKeyPPRCACNMQSOUPY-UHFFFAOYSA-N
XLogP-0.03
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 ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-6-methyl-4,7-dihydrocyclopenta[d][1,3]dioxin-5-one?
The IUPAC name of 6-hydroxy-6-methyl-4,7-dihydrocyclopenta[d][1,3]dioxin-5-one (CID 24975565) is 6-hydroxy-6-methyl-4,7-dihydrocyclopenta[d][1,3]dioxin-5-one.
What is the SMILES notation for 6-hydroxy-6-methyl-4,7-dihydrocyclopenta[d][1,3]dioxin-5-one?
The canonical SMILES for 6-hydroxy-6-methyl-4,7-dihydrocyclopenta[d][1,3]dioxin-5-one is CC1(O)CC2=C(COCO2)C1=O.
What is the InChIKey of 6-hydroxy-6-methyl-4,7-dihydrocyclopenta[d][1,3]dioxin-5-one?
The InChIKey is PPRCACNMQSOUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-8(10)2-6-5(7(8)9)3-11-4-12-6/h10H,2-4H2,1H3.
What are the key properties of 6-hydroxy-6-methyl-4,7-dihydrocyclopenta[d][1,3]dioxin-5-one?
6-hydroxy-6-methyl-4,7-dihydrocyclopenta[d][1,3]dioxin-5-one has a molecular weight of 170.16 g/mol, XLogP of -0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-6-methyl-4,7-dihydrocyclopenta[d][1,3]dioxin-5-one is sourced from PubChem (CID 24975565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).