5-hydroxy-5,6-dimethyl-3,4,4a,6,7,7a-hexahydrocyclopenta[c]pyran-1-one

C10H16O3 — CID 22168894

IUPAC5-hydroxy-5,6-dimethyl-3,4,4a,6,7,7a-hexahydrocyclopenta[c]pyran-1-one
SMILESCC1CC2C(=O)OCCC2C1(C)O
InChIInChI=1S/C10H16O3/c1-6-5-7-8(10(6,2)12)3-4-13-9(7)11/h6-8,12H,3-5H2,1-2H3
InChIKeyZVAVICGVQYSSQF-UHFFFAOYSA-N
MW184.23 g/mol
LogP0.96
Rot. Bonds

About 5-hydroxy-5,6-dimethyl-3,4,4a,6,7,7a-hexahydrocyclopenta[c]pyran-1-one

5-hydroxy-5,6-dimethyl-3,4,4a,6,7,7a-hexahydrocyclopenta[c]pyran-1-one (PubChem CID 22168894) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 5-hydroxy-5,6-dimethyl-3,4,4a,6,7,7a-hexahydrocyclopenta[c]pyran-1-one.

Molecular Properties

Compound Name5-hydroxy-5,6-dimethyl-3,4,4a,6,7,7a-hexahydrocyclopenta[c]pyran-1-one
PubChem CID22168894
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name5-hydroxy-5,6-dimethyl-3,4,4a,6,7,7a-hexahydrocyclopenta[c]pyran-1-one
SMILESCC1CC2C(=O)OCCC2C1(C)O
InChIInChI=1S/C10H16O3/c1-6-5-7-8(10(6,2)12)3-4-13-9(7)11/h6-8,12H,3-5H2,1-2H3
InChIKeyZVAVICGVQYSSQF-UHFFFAOYSA-N
XLogP0.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5,6-dimethyl-3,4,4a,6,7,7a-hexahydrocyclopenta[c]pyran-1-one?
The IUPAC name of 5-hydroxy-5,6-dimethyl-3,4,4a,6,7,7a-hexahydrocyclopenta[c]pyran-1-one (CID 22168894) is 5-hydroxy-5,6-dimethyl-3,4,4a,6,7,7a-hexahydrocyclopenta[c]pyran-1-one.
What is the SMILES notation for 5-hydroxy-5,6-dimethyl-3,4,4a,6,7,7a-hexahydrocyclopenta[c]pyran-1-one?
The canonical SMILES for 5-hydroxy-5,6-dimethyl-3,4,4a,6,7,7a-hexahydrocyclopenta[c]pyran-1-one is CC1CC2C(=O)OCCC2C1(C)O.
What is the InChIKey of 5-hydroxy-5,6-dimethyl-3,4,4a,6,7,7a-hexahydrocyclopenta[c]pyran-1-one?
The InChIKey is ZVAVICGVQYSSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-6-5-7-8(10(6,2)12)3-4-13-9(7)11/h6-8,12H,3-5H2,1-2H3.
What are the key properties of 5-hydroxy-5,6-dimethyl-3,4,4a,6,7,7a-hexahydrocyclopenta[c]pyran-1-one?
5-hydroxy-5,6-dimethyl-3,4,4a,6,7,7a-hexahydrocyclopenta[c]pyran-1-one has a molecular weight of 184.23 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5,6-dimethyl-3,4,4a,6,7,7a-hexahydrocyclopenta[c]pyran-1-one is sourced from PubChem (CID 22168894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).