(3S,5S,9S)-6-hydroxy-9-methyl-3-(2-methylpropoxymethyl)-2-oxaspiro[4.5]dec-6-ene-1,8-dione

C15H22O5 — CID 42564305

IUPAC(3S,5S,9S)-6-hydroxy-9-methyl-3-(2-methylpropoxymethyl)-2-oxaspiro[4.5]dec-6-ene-1,8-dione
SMILESCC(C)COC[C@@H]1C[C@]2(C[C@H](C)C(=O)C=C2O)C(=O)O1
InChIInChI=1S/C15H22O5/c1-9(2)7-19-8-11-6-15(14(18)20-11)5-10(3)12(16)4-13(15)17/h4,9-11,17H,5-8H2,1-3H3/t10-,11-,15-/m0/s1
InChIKeyUAMDZKRTLUMYQV-PGUXBMHVSA-N
MW282.34 g/mol
LogP2.01
Rot. Bonds4

About (3S,5S,9S)-6-hydroxy-9-methyl-3-(2-methylpropoxymethyl)-2-oxaspiro[4.5]dec-6-ene-1,8-dione

(3S,5S,9S)-6-hydroxy-9-methyl-3-(2-methylpropoxymethyl)-2-oxaspiro[4.5]dec-6-ene-1,8-dione (PubChem CID 42564305) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is (3S,5S,9S)-6-hydroxy-9-methyl-3-(2-methylpropoxymethyl)-2-oxaspiro[4.5]dec-6-ene-1,8-dione.

Molecular Properties

Compound Name(3S,5S,9S)-6-hydroxy-9-methyl-3-(2-methylpropoxymethyl)-2-oxaspiro[4.5]dec-6-ene-1,8-dione
PubChem CID42564305
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name(3S,5S,9S)-6-hydroxy-9-methyl-3-(2-methylpropoxymethyl)-2-oxaspiro[4.5]dec-6-ene-1,8-dione
SMILESCC(C)COC[C@@H]1C[C@]2(C[C@H](C)C(=O)C=C2O)C(=O)O1
InChIInChI=1S/C15H22O5/c1-9(2)7-19-8-11-6-15(14(18)20-11)5-10(3)12(16)4-13(15)17/h4,9-11,17H,5-8H2,1-3H3/t10-,11-,15-/m0/s1
InChIKeyUAMDZKRTLUMYQV-PGUXBMHVSA-N
XLogP2.01
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,5S,9S)-6-hydroxy-9-methyl-3-(2-methylpropoxymethyl)-2-oxaspiro[4.5]dec-6-ene-1,8-dione?
The IUPAC name of (3S,5S,9S)-6-hydroxy-9-methyl-3-(2-methylpropoxymethyl)-2-oxaspiro[4.5]dec-6-ene-1,8-dione (CID 42564305) is (3S,5S,9S)-6-hydroxy-9-methyl-3-(2-methylpropoxymethyl)-2-oxaspiro[4.5]dec-6-ene-1,8-dione.
What is the SMILES notation for (3S,5S,9S)-6-hydroxy-9-methyl-3-(2-methylpropoxymethyl)-2-oxaspiro[4.5]dec-6-ene-1,8-dione?
The canonical SMILES for (3S,5S,9S)-6-hydroxy-9-methyl-3-(2-methylpropoxymethyl)-2-oxaspiro[4.5]dec-6-ene-1,8-dione is CC(C)COC[C@@H]1C[C@]2(C[C@H](C)C(=O)C=C2O)C(=O)O1.
What is the InChIKey of (3S,5S,9S)-6-hydroxy-9-methyl-3-(2-methylpropoxymethyl)-2-oxaspiro[4.5]dec-6-ene-1,8-dione?
The InChIKey is UAMDZKRTLUMYQV-PGUXBMHVSA-N. The full InChI is InChI=1S/C15H22O5/c1-9(2)7-19-8-11-6-15(14(18)20-11)5-10(3)12(16)4-13(15)17/h4,9-11,17H,5-8H2,1-3H3/t10-,11-,15-/m0/s1.
What are the key properties of (3S,5S,9S)-6-hydroxy-9-methyl-3-(2-methylpropoxymethyl)-2-oxaspiro[4.5]dec-6-ene-1,8-dione?
(3S,5S,9S)-6-hydroxy-9-methyl-3-(2-methylpropoxymethyl)-2-oxaspiro[4.5]dec-6-ene-1,8-dione has a molecular weight of 282.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S,9S)-6-hydroxy-9-methyl-3-(2-methylpropoxymethyl)-2-oxaspiro[4.5]dec-6-ene-1,8-dione is sourced from PubChem (CID 42564305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).