(6aR)-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one

C13H12O2 — CID 10998028

IUPAC(6aR)-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
SMILESO=C1C[C@H]2COCC2=C1c1ccccc1
InChIInChI=1S/C13H12O2/c14-12-6-10-7-15-8-11(10)13(12)9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m0/s1
InChIKeyWRTOQIPVDXROBI-JTQLQIEISA-N
MW200.24 g/mol
LogP2.06
Rot. Bonds1

About (6aR)-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one

(6aR)-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (PubChem CID 10998028) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is (6aR)-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.

Molecular Properties

Compound Name(6aR)-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
PubChem CID10998028
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name(6aR)-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
SMILESO=C1C[C@H]2COCC2=C1c1ccccc1
InChIInChI=1S/C13H12O2/c14-12-6-10-7-15-8-11(10)13(12)9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m0/s1
InChIKeyWRTOQIPVDXROBI-JTQLQIEISA-N
XLogP2.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6aR)-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The IUPAC name of (6aR)-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (CID 10998028) is (6aR)-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.
What is the SMILES notation for (6aR)-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The canonical SMILES for (6aR)-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is O=C1C[C@H]2COCC2=C1c1ccccc1.
What is the InChIKey of (6aR)-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The InChIKey is WRTOQIPVDXROBI-JTQLQIEISA-N. The full InChI is InChI=1S/C13H12O2/c14-12-6-10-7-15-8-11(10)13(12)9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m0/s1.
What are the key properties of (6aR)-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
(6aR)-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one has a molecular weight of 200.24 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is sourced from PubChem (CID 10998028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).