(5S)-7-oxaspiro[4.5]dec-2-ene-4,6-dione

C9H10O3 — CID 134960099

IUPAC(5S)-7-oxaspiro[4.5]dec-2-ene-4,6-dione
SMILESO=C1C=CC[C@@]12CCCOC2=O
InChIInChI=1S/C9H10O3/c10-7-3-1-4-9(7)5-2-6-12-8(9)11/h1,3H,2,4-6H2/t9-/m1/s1
InChIKeyDXBFHBCRDKGEMF-SECBINFHSA-N
MW166.18 g/mol
LogP0.84
Rot. Bonds

About (5S)-7-oxaspiro[4.5]dec-2-ene-4,6-dione

(5S)-7-oxaspiro[4.5]dec-2-ene-4,6-dione (PubChem CID 134960099) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is (5S)-7-oxaspiro[4.5]dec-2-ene-4,6-dione.

Molecular Properties

Compound Name(5S)-7-oxaspiro[4.5]dec-2-ene-4,6-dione
PubChem CID134960099
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name(5S)-7-oxaspiro[4.5]dec-2-ene-4,6-dione
SMILESO=C1C=CC[C@@]12CCCOC2=O
InChIInChI=1S/C9H10O3/c10-7-3-1-4-9(7)5-2-6-12-8(9)11/h1,3H,2,4-6H2/t9-/m1/s1
InChIKeyDXBFHBCRDKGEMF-SECBINFHSA-N
XLogP0.84
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-oxaspiro[4.5]dec-2-ene-4,6-dione?
The IUPAC name of (5S)-7-oxaspiro[4.5]dec-2-ene-4,6-dione (CID 134960099) is (5S)-7-oxaspiro[4.5]dec-2-ene-4,6-dione.
What is the SMILES notation for (5S)-7-oxaspiro[4.5]dec-2-ene-4,6-dione?
The canonical SMILES for (5S)-7-oxaspiro[4.5]dec-2-ene-4,6-dione is O=C1C=CC[C@@]12CCCOC2=O.
What is the InChIKey of (5S)-7-oxaspiro[4.5]dec-2-ene-4,6-dione?
The InChIKey is DXBFHBCRDKGEMF-SECBINFHSA-N. The full InChI is InChI=1S/C9H10O3/c10-7-3-1-4-9(7)5-2-6-12-8(9)11/h1,3H,2,4-6H2/t9-/m1/s1.
What are the key properties of (5S)-7-oxaspiro[4.5]dec-2-ene-4,6-dione?
(5S)-7-oxaspiro[4.5]dec-2-ene-4,6-dione has a molecular weight of 166.18 g/mol, XLogP of 0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-oxaspiro[4.5]dec-2-ene-4,6-dione is sourced from PubChem (CID 134960099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).