(5S)-8-methyl-2-oxaspiro[4.5]dec-7-ene-1,6-dione

C10H12O3 — CID 12038653

IUPAC(5S)-8-methyl-2-oxaspiro[4.5]dec-7-ene-1,6-dione
SMILESCC1=CC(=O)[C@@]2(CCOC2=O)CC1
InChIInChI=1S/C10H12O3/c1-7-2-3-10(8(11)6-7)4-5-13-9(10)12/h6H,2-5H2,1H3/t10-/m0/s1
InChIKeyPQQGGNWFHARIPV-JTQLQIEISA-N
MW180.20 g/mol
LogP1.23
Rot. Bonds

About (5S)-8-methyl-2-oxaspiro[4.5]dec-7-ene-1,6-dione

(5S)-8-methyl-2-oxaspiro[4.5]dec-7-ene-1,6-dione (PubChem CID 12038653) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (5S)-8-methyl-2-oxaspiro[4.5]dec-7-ene-1,6-dione.

Molecular Properties

Compound Name(5S)-8-methyl-2-oxaspiro[4.5]dec-7-ene-1,6-dione
PubChem CID12038653
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(5S)-8-methyl-2-oxaspiro[4.5]dec-7-ene-1,6-dione
SMILESCC1=CC(=O)[C@@]2(CCOC2=O)CC1
InChIInChI=1S/C10H12O3/c1-7-2-3-10(8(11)6-7)4-5-13-9(10)12/h6H,2-5H2,1H3/t10-/m0/s1
InChIKeyPQQGGNWFHARIPV-JTQLQIEISA-N
XLogP1.23
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.23
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)-8-methyl-2-oxaspiro[4.5]dec-7-ene-1,6-dione?
The IUPAC name of (5S)-8-methyl-2-oxaspiro[4.5]dec-7-ene-1,6-dione (CID 12038653) is (5S)-8-methyl-2-oxaspiro[4.5]dec-7-ene-1,6-dione.
What is the SMILES notation for (5S)-8-methyl-2-oxaspiro[4.5]dec-7-ene-1,6-dione?
The canonical SMILES for (5S)-8-methyl-2-oxaspiro[4.5]dec-7-ene-1,6-dione is CC1=CC(=O)[C@@]2(CCOC2=O)CC1.
What is the InChIKey of (5S)-8-methyl-2-oxaspiro[4.5]dec-7-ene-1,6-dione?
The InChIKey is PQQGGNWFHARIPV-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12O3/c1-7-2-3-10(8(11)6-7)4-5-13-9(10)12/h6H,2-5H2,1H3/t10-/m0/s1.
What are the key properties of (5S)-8-methyl-2-oxaspiro[4.5]dec-7-ene-1,6-dione?
(5S)-8-methyl-2-oxaspiro[4.5]dec-7-ene-1,6-dione has a molecular weight of 180.20 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-8-methyl-2-oxaspiro[4.5]dec-7-ene-1,6-dione is sourced from PubChem (CID 12038653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).