(2R,4S,5S)-4-ethenyl-2-(2-hydroxypropan-2-yl)-8-methyl-1-oxaspiro[4.5]dec-7-ene-6,9-dione

C15H20O4 — CID 46899989

IUPAC(2R,4S,5S)-4-ethenyl-2-(2-hydroxypropan-2-yl)-8-methyl-1-oxaspiro[4.5]dec-7-ene-6,9-dione
SMILESC=C[C@@H]1C[C@H](C(C)(C)O)O[C@@]12CC(=O)C(C)=CC2=O
InChIInChI=1S/C15H20O4/c1-5-10-7-13(14(3,4)18)19-15(10)8-11(16)9(2)6-12(15)17/h5-6,10,13,18H,1,7-8H2,2-4H3/t10-,13-,15+/m1/s1
InChIKeyMATQAMIEUDKYBO-YVLXSGLVSA-N
MW264.32 g/mol
LogP1.58
Rot. Bonds2

About (2R,4S,5S)-4-ethenyl-2-(2-hydroxypropan-2-yl)-8-methyl-1-oxaspiro[4.5]dec-7-ene-6,9-dione

(2R,4S,5S)-4-ethenyl-2-(2-hydroxypropan-2-yl)-8-methyl-1-oxaspiro[4.5]dec-7-ene-6,9-dione (PubChem CID 46899989) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2R,4S,5S)-4-ethenyl-2-(2-hydroxypropan-2-yl)-8-methyl-1-oxaspiro[4.5]dec-7-ene-6,9-dione.

Molecular Properties

Compound Name(2R,4S,5S)-4-ethenyl-2-(2-hydroxypropan-2-yl)-8-methyl-1-oxaspiro[4.5]dec-7-ene-6,9-dione
PubChem CID46899989
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(2R,4S,5S)-4-ethenyl-2-(2-hydroxypropan-2-yl)-8-methyl-1-oxaspiro[4.5]dec-7-ene-6,9-dione
SMILESC=C[C@@H]1C[C@H](C(C)(C)O)O[C@@]12CC(=O)C(C)=CC2=O
InChIInChI=1S/C15H20O4/c1-5-10-7-13(14(3,4)18)19-15(10)8-11(16)9(2)6-12(15)17/h5-6,10,13,18H,1,7-8H2,2-4H3/t10-,13-,15+/m1/s1
InChIKeyMATQAMIEUDKYBO-YVLXSGLVSA-N
XLogP1.58
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-4-ethenyl-2-(2-hydroxypropan-2-yl)-8-methyl-1-oxaspiro[4.5]dec-7-ene-6,9-dione?
The IUPAC name of (2R,4S,5S)-4-ethenyl-2-(2-hydroxypropan-2-yl)-8-methyl-1-oxaspiro[4.5]dec-7-ene-6,9-dione (CID 46899989) is (2R,4S,5S)-4-ethenyl-2-(2-hydroxypropan-2-yl)-8-methyl-1-oxaspiro[4.5]dec-7-ene-6,9-dione.
What is the SMILES notation for (2R,4S,5S)-4-ethenyl-2-(2-hydroxypropan-2-yl)-8-methyl-1-oxaspiro[4.5]dec-7-ene-6,9-dione?
The canonical SMILES for (2R,4S,5S)-4-ethenyl-2-(2-hydroxypropan-2-yl)-8-methyl-1-oxaspiro[4.5]dec-7-ene-6,9-dione is C=C[C@@H]1C[C@H](C(C)(C)O)O[C@@]12CC(=O)C(C)=CC2=O.
What is the InChIKey of (2R,4S,5S)-4-ethenyl-2-(2-hydroxypropan-2-yl)-8-methyl-1-oxaspiro[4.5]dec-7-ene-6,9-dione?
The InChIKey is MATQAMIEUDKYBO-YVLXSGLVSA-N. The full InChI is InChI=1S/C15H20O4/c1-5-10-7-13(14(3,4)18)19-15(10)8-11(16)9(2)6-12(15)17/h5-6,10,13,18H,1,7-8H2,2-4H3/t10-,13-,15+/m1/s1.
What are the key properties of (2R,4S,5S)-4-ethenyl-2-(2-hydroxypropan-2-yl)-8-methyl-1-oxaspiro[4.5]dec-7-ene-6,9-dione?
(2R,4S,5S)-4-ethenyl-2-(2-hydroxypropan-2-yl)-8-methyl-1-oxaspiro[4.5]dec-7-ene-6,9-dione has a molecular weight of 264.32 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S)-4-ethenyl-2-(2-hydroxypropan-2-yl)-8-methyl-1-oxaspiro[4.5]dec-7-ene-6,9-dione is sourced from PubChem (CID 46899989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).