(4aS,7aR)-4a-hydroxy-2,3,4,7a-tetrahydrocyclopenta[b]pyran-7-one

C8H10O3 — CID 10773179

IUPAC(4aS,7aR)-4a-hydroxy-2,3,4,7a-tetrahydrocyclopenta[b]pyran-7-one
SMILESO=C1C=C[C@@]2(O)CCCO[C@@H]12
InChIInChI=1S/C8H10O3/c9-6-2-4-8(10)3-1-5-11-7(6)8/h2,4,7,10H,1,3,5H2/t7-,8-/m0/s1
InChIKeyVIOPBOMPEZATBK-YUMQZZPRSA-N
MW154.16 g/mol
LogP0.04
Rot. Bonds

About (4aS,7aR)-4a-hydroxy-2,3,4,7a-tetrahydrocyclopenta[b]pyran-7-one

(4aS,7aR)-4a-hydroxy-2,3,4,7a-tetrahydrocyclopenta[b]pyran-7-one (PubChem CID 10773179) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (4aS,7aR)-4a-hydroxy-2,3,4,7a-tetrahydrocyclopenta[b]pyran-7-one.

Molecular Properties

Compound Name(4aS,7aR)-4a-hydroxy-2,3,4,7a-tetrahydrocyclopenta[b]pyran-7-one
PubChem CID10773179
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(4aS,7aR)-4a-hydroxy-2,3,4,7a-tetrahydrocyclopenta[b]pyran-7-one
SMILESO=C1C=C[C@@]2(O)CCCO[C@@H]12
InChIInChI=1S/C8H10O3/c9-6-2-4-8(10)3-1-5-11-7(6)8/h2,4,7,10H,1,3,5H2/t7-,8-/m0/s1
InChIKeyVIOPBOMPEZATBK-YUMQZZPRSA-N
XLogP0.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4aS,7aR)-4a-hydroxy-2,3,4,7a-tetrahydrocyclopenta[b]pyran-7-one?
The IUPAC name of (4aS,7aR)-4a-hydroxy-2,3,4,7a-tetrahydrocyclopenta[b]pyran-7-one (CID 10773179) is (4aS,7aR)-4a-hydroxy-2,3,4,7a-tetrahydrocyclopenta[b]pyran-7-one.
What is the SMILES notation for (4aS,7aR)-4a-hydroxy-2,3,4,7a-tetrahydrocyclopenta[b]pyran-7-one?
The canonical SMILES for (4aS,7aR)-4a-hydroxy-2,3,4,7a-tetrahydrocyclopenta[b]pyran-7-one is O=C1C=C[C@@]2(O)CCCO[C@@H]12.
What is the InChIKey of (4aS,7aR)-4a-hydroxy-2,3,4,7a-tetrahydrocyclopenta[b]pyran-7-one?
The InChIKey is VIOPBOMPEZATBK-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H10O3/c9-6-2-4-8(10)3-1-5-11-7(6)8/h2,4,7,10H,1,3,5H2/t7-,8-/m0/s1.
What are the key properties of (4aS,7aR)-4a-hydroxy-2,3,4,7a-tetrahydrocyclopenta[b]pyran-7-one?
(4aS,7aR)-4a-hydroxy-2,3,4,7a-tetrahydrocyclopenta[b]pyran-7-one has a molecular weight of 154.16 g/mol, XLogP of 0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7aR)-4a-hydroxy-2,3,4,7a-tetrahydrocyclopenta[b]pyran-7-one is sourced from PubChem (CID 10773179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).