(5R,9S)-4-methoxy-6,9-dimethyl-8-methylidene-1-oxaspiro[4.5]deca-3,6-dien-2-one

C13H16O3 — CID 135041014

IUPAC(5R,9S)-4-methoxy-6,9-dimethyl-8-methylidene-1-oxaspiro[4.5]deca-3,6-dien-2-one
SMILESC=C1C=C(C)[C@@]2(C[C@@H]1C)OC(=O)C=C2OC
InChIInChI=1S/C13H16O3/c1-8-5-10(3)13(7-9(8)2)11(15-4)6-12(14)16-13/h5-6,9H,1,7H2,2-4H3/t9-,13+/m0/s1
InChIKeyHQUYSWLUVGVGQM-TVQRCGJNSA-N
MW220.27 g/mol
LogP2.35
Rot. Bonds1

About (5R,9S)-4-methoxy-6,9-dimethyl-8-methylidene-1-oxaspiro[4.5]deca-3,6-dien-2-one

(5R,9S)-4-methoxy-6,9-dimethyl-8-methylidene-1-oxaspiro[4.5]deca-3,6-dien-2-one (PubChem CID 135041014) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is (5R,9S)-4-methoxy-6,9-dimethyl-8-methylidene-1-oxaspiro[4.5]deca-3,6-dien-2-one.

Molecular Properties

Compound Name(5R,9S)-4-methoxy-6,9-dimethyl-8-methylidene-1-oxaspiro[4.5]deca-3,6-dien-2-one
PubChem CID135041014
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name(5R,9S)-4-methoxy-6,9-dimethyl-8-methylidene-1-oxaspiro[4.5]deca-3,6-dien-2-one
SMILESC=C1C=C(C)[C@@]2(C[C@@H]1C)OC(=O)C=C2OC
InChIInChI=1S/C13H16O3/c1-8-5-10(3)13(7-9(8)2)11(15-4)6-12(14)16-13/h5-6,9H,1,7H2,2-4H3/t9-,13+/m0/s1
InChIKeyHQUYSWLUVGVGQM-TVQRCGJNSA-N
XLogP2.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R,9S)-4-methoxy-6,9-dimethyl-8-methylidene-1-oxaspiro[4.5]deca-3,6-dien-2-one?
The IUPAC name of (5R,9S)-4-methoxy-6,9-dimethyl-8-methylidene-1-oxaspiro[4.5]deca-3,6-dien-2-one (CID 135041014) is (5R,9S)-4-methoxy-6,9-dimethyl-8-methylidene-1-oxaspiro[4.5]deca-3,6-dien-2-one.
What is the SMILES notation for (5R,9S)-4-methoxy-6,9-dimethyl-8-methylidene-1-oxaspiro[4.5]deca-3,6-dien-2-one?
The canonical SMILES for (5R,9S)-4-methoxy-6,9-dimethyl-8-methylidene-1-oxaspiro[4.5]deca-3,6-dien-2-one is C=C1C=C(C)[C@@]2(C[C@@H]1C)OC(=O)C=C2OC.
What is the InChIKey of (5R,9S)-4-methoxy-6,9-dimethyl-8-methylidene-1-oxaspiro[4.5]deca-3,6-dien-2-one?
The InChIKey is HQUYSWLUVGVGQM-TVQRCGJNSA-N. The full InChI is InChI=1S/C13H16O3/c1-8-5-10(3)13(7-9(8)2)11(15-4)6-12(14)16-13/h5-6,9H,1,7H2,2-4H3/t9-,13+/m0/s1.
What are the key properties of (5R,9S)-4-methoxy-6,9-dimethyl-8-methylidene-1-oxaspiro[4.5]deca-3,6-dien-2-one?
(5R,9S)-4-methoxy-6,9-dimethyl-8-methylidene-1-oxaspiro[4.5]deca-3,6-dien-2-one has a molecular weight of 220.27 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9S)-4-methoxy-6,9-dimethyl-8-methylidene-1-oxaspiro[4.5]deca-3,6-dien-2-one is sourced from PubChem (CID 135041014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).