4-hydroxy-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyran-2-one

C11H16O3 — CID 54718187

IUPAC4-hydroxy-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyran-2-one
SMILESO=C1C=C(O)C2CCCCCCC2O1
InChIInChI=1S/C11H16O3/c12-9-7-11(13)14-10-6-4-2-1-3-5-8(9)10/h7-8,10,12H,1-6H2
InChIKeyLYUKOBSNTGVKFZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.32
Rot. Bonds

About 4-hydroxy-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyran-2-one

4-hydroxy-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyran-2-one (PubChem CID 54718187) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-hydroxy-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyran-2-one
PubChem CID54718187
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name4-hydroxy-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyran-2-one
SMILESO=C1C=C(O)C2CCCCCCC2O1
InChIInChI=1S/C11H16O3/c12-9-7-11(13)14-10-6-4-2-1-3-5-8(9)10/h7-8,10,12H,1-6H2
InChIKeyLYUKOBSNTGVKFZ-UHFFFAOYSA-N
XLogP2.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2S,7R,9R)-7-hydroxy-10,13,13-trimethyl-3-oxatricyclo[7.2.2.02,6]trideca-5,10-dien-4-one
CID 118727015
Rel-Euryspongin B
CID 71719572
4-Hydroxy-5-methyl-2-(4-methylpentyl)-2,3-dihydropyran-6-one
CID 122403122
Alkyldihydropyrone C
CID 139586187
Alkyldihydropyrone D
CID 139587919
Alkyldihydropyrone A
CID 156580407
6-(5-hydroxy-6-methylheptyl)-5,6-dihydro-2H-pyran-2-one
CID 154631907
2-cyclopentyl-4-hydroxy-2-isopentyl-3H-pyran-6-one
CID 54689599
2-Cyclohexyl-4-methoxy-2,3-dihydropyran-6-one
CID 24829159
(2S,3R)-2-cyclohexyl-4-methoxy-3-methyl-2,3-dihydropyran-6-one
CID 101955746
(4aS)-4-hydroxy-4a,5,6,7,8,8a-hexahydrochromen-2-one
CID 135045387
methyl (E)-5-cyclohexyl-5-hydroxy-3-methoxypent-2-enoate
CID 139249099

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyran-2-one?
The IUPAC name of 4-hydroxy-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyran-2-one (CID 54718187) is 4-hydroxy-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyran-2-one.
What is the SMILES notation for 4-hydroxy-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyran-2-one?
The canonical SMILES for 4-hydroxy-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyran-2-one is O=C1C=C(O)C2CCCCCCC2O1.
What is the InChIKey of 4-hydroxy-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyran-2-one?
The InChIKey is LYUKOBSNTGVKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c12-9-7-11(13)14-10-6-4-2-1-3-5-8(9)10/h7-8,10,12H,1-6H2.
What are the key properties of 4-hydroxy-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyran-2-one?
4-hydroxy-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyran-2-one has a molecular weight of 196.25 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyran-2-one is sourced from PubChem (CID 54718187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).