(5R,6S)-6-hydroxy-1-oxo-2-oxaspiro[4.5]dec-7-ene-8-carbaldehyde

C10H12O4 — CID 24755725

IUPAC(5R,6S)-6-hydroxy-1-oxo-2-oxaspiro[4.5]dec-7-ene-8-carbaldehyde
SMILESO=CC1=C[C@H](O)[C@]2(CCOC2=O)CC1
InChIInChI=1S/C10H12O4/c11-6-7-1-2-10(8(12)5-7)3-4-14-9(10)13/h5-6,8,12H,1-4H2/t8-,10+/m0/s1
InChIKeyNOJVXIYSKYICFF-WCBMZHEXSA-N
MW196.20 g/mol
LogP0.20
Rot. Bonds1

About (5R,6S)-6-hydroxy-1-oxo-2-oxaspiro[4.5]dec-7-ene-8-carbaldehyde

(5R,6S)-6-hydroxy-1-oxo-2-oxaspiro[4.5]dec-7-ene-8-carbaldehyde (PubChem CID 24755725) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is (5R,6S)-6-hydroxy-1-oxo-2-oxaspiro[4.5]dec-7-ene-8-carbaldehyde.

Molecular Properties

Compound Name(5R,6S)-6-hydroxy-1-oxo-2-oxaspiro[4.5]dec-7-ene-8-carbaldehyde
PubChem CID24755725
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name(5R,6S)-6-hydroxy-1-oxo-2-oxaspiro[4.5]dec-7-ene-8-carbaldehyde
SMILESO=CC1=C[C@H](O)[C@]2(CCOC2=O)CC1
InChIInChI=1S/C10H12O4/c11-6-7-1-2-10(8(12)5-7)3-4-14-9(10)13/h5-6,8,12H,1-4H2/t8-,10+/m0/s1
InChIKeyNOJVXIYSKYICFF-WCBMZHEXSA-N
XLogP0.20
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Urospermal
CID 14287067
Lecocarpinolide H
CID 24094150
(3aR,4R,6E,10E,11aR)-4-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carbaldehyde
CID 24871103
(3aS,4R,5Z,9E,11aS)-4-hydroxy-3,6-dimethyl-2-oxo-3a,4,7,8,11,11a-hexahydro-3H-cyclodeca[b]furan-10-carbaldehyde
CID 145956837
(3aS,4R,5E,9Z,11aR)-4-hydroxy-6-methyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-10-carbaldehyde
CID 44457196
(5R,6R)-6-hydroxy-1-oxo-2-oxaspiro[4.5]dec-7-ene-8-carbaldehyde
CID 11030720
Schkuhriolide
CID 13858223
(3R,3aS,4R,5E,9E,11aS)-4-hydroxy-3,6-dimethyl-2-oxo-3a,4,7,8,11,11a-hexahydro-3H-cyclodeca[b]furan-10-carbaldehyde
CID 14488506
Vibralactone H
CID 72708615
(3aS,4S,6E,10E,11aS)-4-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carbaldehyde
CID 92446335
(3aR,4S,6Z,10Z,11aR)-4-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carbaldehyde
CID 100854253
(1R,3S,5S,6S)-6-hydroxy-1,3-dimethoxy-2-oxaspiro[4.5]dec-7-ene-8-carbaldehyde
CID 162870072

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-hydroxy-1-oxo-2-oxaspiro[4.5]dec-7-ene-8-carbaldehyde?
The IUPAC name of (5R,6S)-6-hydroxy-1-oxo-2-oxaspiro[4.5]dec-7-ene-8-carbaldehyde (CID 24755725) is (5R,6S)-6-hydroxy-1-oxo-2-oxaspiro[4.5]dec-7-ene-8-carbaldehyde.
What is the SMILES notation for (5R,6S)-6-hydroxy-1-oxo-2-oxaspiro[4.5]dec-7-ene-8-carbaldehyde?
The canonical SMILES for (5R,6S)-6-hydroxy-1-oxo-2-oxaspiro[4.5]dec-7-ene-8-carbaldehyde is O=CC1=C[C@H](O)[C@]2(CCOC2=O)CC1.
What is the InChIKey of (5R,6S)-6-hydroxy-1-oxo-2-oxaspiro[4.5]dec-7-ene-8-carbaldehyde?
The InChIKey is NOJVXIYSKYICFF-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H12O4/c11-6-7-1-2-10(8(12)5-7)3-4-14-9(10)13/h5-6,8,12H,1-4H2/t8-,10+/m0/s1.
What are the key properties of (5R,6S)-6-hydroxy-1-oxo-2-oxaspiro[4.5]dec-7-ene-8-carbaldehyde?
(5R,6S)-6-hydroxy-1-oxo-2-oxaspiro[4.5]dec-7-ene-8-carbaldehyde has a molecular weight of 196.20 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-hydroxy-1-oxo-2-oxaspiro[4.5]dec-7-ene-8-carbaldehyde is sourced from PubChem (CID 24755725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).