(5R,6S)-6-hydroxy-8-(hydroxymethyl)-2-oxaspiro[4.5]dec-7-en-1-one

C10H14O4 — CID 24755776

IUPAC(5R,6S)-6-hydroxy-8-(hydroxymethyl)-2-oxaspiro[4.5]dec-7-en-1-one
SMILESO=C1OCC[C@@]12CCC(CO)=C[C@@H]2O
InChIInChI=1S/C10H14O4/c11-6-7-1-2-10(8(12)5-7)3-4-14-9(10)13/h5,8,11-12H,1-4,6H2/t8-,10+/m0/s1
InChIKeyUBZLCBSCXZWYIU-WCBMZHEXSA-N
MW198.22 g/mol
LogP-0.01
Rot. Bonds1

About (5R,6S)-6-hydroxy-8-(hydroxymethyl)-2-oxaspiro[4.5]dec-7-en-1-one

(5R,6S)-6-hydroxy-8-(hydroxymethyl)-2-oxaspiro[4.5]dec-7-en-1-one (PubChem CID 24755776) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is (5R,6S)-6-hydroxy-8-(hydroxymethyl)-2-oxaspiro[4.5]dec-7-en-1-one.

Molecular Properties

Compound Name(5R,6S)-6-hydroxy-8-(hydroxymethyl)-2-oxaspiro[4.5]dec-7-en-1-one
PubChem CID24755776
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name(5R,6S)-6-hydroxy-8-(hydroxymethyl)-2-oxaspiro[4.5]dec-7-en-1-one
SMILESO=C1OCC[C@@]12CCC(CO)=C[C@@H]2O
InChIInChI=1S/C10H14O4/c11-6-7-1-2-10(8(12)5-7)3-4-14-9(10)13/h5,8,11-12H,1-4,6H2/t8-,10+/m0/s1
InChIKeyUBZLCBSCXZWYIU-WCBMZHEXSA-N
XLogP-0.01
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ostalactone A
CID 46898597
Vibralactone
CID 16095274
Vibralactone E
CID 45102017
Vibralactone F
CID 45102018
3-(Hydroxymethyl)-1-(3-methylbut-2-enyl)-6-oxabicyclo[3.2.0]hept-2-en-7-one
CID 25263057
(5R,6R)-6-hydroxy-1-oxo-2-oxaspiro[4.5]dec-7-ene-8-carbaldehyde
CID 11030720
Isopolisin B
CID 139590454
6-Hydroxy-1-oxo-2-oxaspiro[4.5]dec-7-ene-8-carbaldehyde
CID 91055249
(1S,5R)-3-(hydroxymethyl)-1-(3-methylbut-2-enyl)-6-oxabicyclo[3.2.0]hept-2-en-7-one
CID 102149127
(5S,6S)-6-hydroxy-1-oxo-2-oxaspiro[4.5]dec-7-ene-8-carbaldehyde
CID 24756378
(3aS,7R,7aS)-7-hydroxy-3a,7a-dimethyl-4,7-dihydro-3H-2-benzofuran-1-one
CID 142256097
(3aS,4R,7aS)-4-hydroxy-3a,7a-dimethyl-4,7-dihydro-2-benzofuran-1,3-dione
CID 142256101

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-hydroxy-8-(hydroxymethyl)-2-oxaspiro[4.5]dec-7-en-1-one?
The IUPAC name of (5R,6S)-6-hydroxy-8-(hydroxymethyl)-2-oxaspiro[4.5]dec-7-en-1-one (CID 24755776) is (5R,6S)-6-hydroxy-8-(hydroxymethyl)-2-oxaspiro[4.5]dec-7-en-1-one.
What is the SMILES notation for (5R,6S)-6-hydroxy-8-(hydroxymethyl)-2-oxaspiro[4.5]dec-7-en-1-one?
The canonical SMILES for (5R,6S)-6-hydroxy-8-(hydroxymethyl)-2-oxaspiro[4.5]dec-7-en-1-one is O=C1OCC[C@@]12CCC(CO)=C[C@@H]2O.
What is the InChIKey of (5R,6S)-6-hydroxy-8-(hydroxymethyl)-2-oxaspiro[4.5]dec-7-en-1-one?
The InChIKey is UBZLCBSCXZWYIU-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H14O4/c11-6-7-1-2-10(8(12)5-7)3-4-14-9(10)13/h5,8,11-12H,1-4,6H2/t8-,10+/m0/s1.
What are the key properties of (5R,6S)-6-hydroxy-8-(hydroxymethyl)-2-oxaspiro[4.5]dec-7-en-1-one?
(5R,6S)-6-hydroxy-8-(hydroxymethyl)-2-oxaspiro[4.5]dec-7-en-1-one has a molecular weight of 198.22 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-hydroxy-8-(hydroxymethyl)-2-oxaspiro[4.5]dec-7-en-1-one is sourced from PubChem (CID 24755776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).