(5S)-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione

C9H8O3 — CID 102204185

IUPAC(5S)-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione
SMILESO=C1CC[C@@]2(C=CC=CC2=O)O1
InChIInChI=1S/C9H8O3/c10-7-3-1-2-5-9(7)6-4-8(11)12-9/h1-3,5H,4,6H2/t9-/m1/s1
InChIKeyIXHKXHKRRUDDSW-SECBINFHSA-N
MW164.16 g/mol
LogP0.76
Rot. Bonds

About (5S)-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione

(5S)-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione (PubChem CID 102204185) has the molecular formula C9H8O3 and a molecular weight of 164.16 g/mol. Its IUPAC name is (5S)-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione.

Molecular Properties

Compound Name(5S)-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione
PubChem CID102204185
Molecular FormulaC9H8O3
Molecular Weight164.16 g/mol
Exact Mass164.05
IUPAC Name(5S)-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione
SMILESO=C1CC[C@@]2(C=CC=CC2=O)O1
InChIInChI=1S/C9H8O3/c10-7-3-1-2-5-9(7)6-4-8(11)12-9/h1-3,5H,4,6H2/t9-/m1/s1
InChIKeyIXHKXHKRRUDDSW-SECBINFHSA-N
XLogP0.76
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione?
The IUPAC name of (5S)-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione (CID 102204185) is (5S)-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione.
What is the SMILES notation for (5S)-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione?
The canonical SMILES for (5S)-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione is O=C1CC[C@@]2(C=CC=CC2=O)O1.
What is the InChIKey of (5S)-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione?
The InChIKey is IXHKXHKRRUDDSW-SECBINFHSA-N. The full InChI is InChI=1S/C9H8O3/c10-7-3-1-2-5-9(7)6-4-8(11)12-9/h1-3,5H,4,6H2/t9-/m1/s1.
What are the key properties of (5S)-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione?
(5S)-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione has a molecular weight of 164.16 g/mol, XLogP of 0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione is sourced from PubChem (CID 102204185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).