(6S)-2-hydroxy-3-methyl-1,5-dioxaspiro[5.5]undeca-2,9-dien-4-one

C10H12O4 — CID 163697262

IUPAC(6S)-2-hydroxy-3-methyl-1,5-dioxaspiro[5.5]undeca-2,9-dien-4-one
SMILESCC1=C(O)O[C@]2(CC=CCC2)OC1=O
InChIInChI=1S/C10H12O4/c1-7-8(11)13-10(14-9(7)12)5-3-2-4-6-10/h2-3,11H,4-6H2,1H3/t10-/m1/s1
InChIKeyJXYPEFMHXNECPL-SNVBAGLBSA-N
MW196.20 g/mol
LogP1.79
Rot. Bonds

About (6S)-2-hydroxy-3-methyl-1,5-dioxaspiro[5.5]undeca-2,9-dien-4-one

(6S)-2-hydroxy-3-methyl-1,5-dioxaspiro[5.5]undeca-2,9-dien-4-one (PubChem CID 163697262) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is (6S)-2-hydroxy-3-methyl-1,5-dioxaspiro[5.5]undeca-2,9-dien-4-one.

Molecular Properties

Compound Name(6S)-2-hydroxy-3-methyl-1,5-dioxaspiro[5.5]undeca-2,9-dien-4-one
PubChem CID163697262
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name(6S)-2-hydroxy-3-methyl-1,5-dioxaspiro[5.5]undeca-2,9-dien-4-one
SMILESCC1=C(O)O[C@]2(CC=CCC2)OC1=O
InChIInChI=1S/C10H12O4/c1-7-8(11)13-10(14-9(7)12)5-3-2-4-6-10/h2-3,11H,4-6H2,1H3/t10-/m1/s1
InChIKeyJXYPEFMHXNECPL-SNVBAGLBSA-N
XLogP1.79
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-Dimethyl-5-(3-methylbut-2-enyl)-6-oxo-1,3-dioxin-4-olate
CID 101130253
6-Hydroxy-2,2-dimethyl-5-(2-methyl-6-oxopyran-4-yl)-1,3-dioxin-4-one
CID 58939827
5-[(1E)-buta-1,3-dienyl]-2-ethyl-6-hydroxy-2-methyl-1,3-dioxin-4-one;ethane
CID 143456648
6-Hydroxy-2,2-dimethyl-5-prop-2-enyl-1,3-dioxin-4-one
CID 12015481
6-Hydroxy-2,2-dimethyl-5-(3-methylbut-2-enyl)-1,3-dioxin-4-one
CID 12015485
6-hydroxy-2,2-dimethyl-5-[(E)-4-prop-2-enoxybut-2-enyl]-1,3-dioxin-4-one
CID 102576696
5-(Cyclopenta-2,4-dien-1-ylidenemethyl)-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one
CID 134854698
5-[(1E)-buta-1,3-dienyl]-2-ethyl-6-hydroxy-2-methyl-1,3-dioxin-4-one
CID 143456649

Frequently Asked Questions

What is the IUPAC name of (6S)-2-hydroxy-3-methyl-1,5-dioxaspiro[5.5]undeca-2,9-dien-4-one?
The IUPAC name of (6S)-2-hydroxy-3-methyl-1,5-dioxaspiro[5.5]undeca-2,9-dien-4-one (CID 163697262) is (6S)-2-hydroxy-3-methyl-1,5-dioxaspiro[5.5]undeca-2,9-dien-4-one.
What is the SMILES notation for (6S)-2-hydroxy-3-methyl-1,5-dioxaspiro[5.5]undeca-2,9-dien-4-one?
The canonical SMILES for (6S)-2-hydroxy-3-methyl-1,5-dioxaspiro[5.5]undeca-2,9-dien-4-one is CC1=C(O)O[C@]2(CC=CCC2)OC1=O.
What is the InChIKey of (6S)-2-hydroxy-3-methyl-1,5-dioxaspiro[5.5]undeca-2,9-dien-4-one?
The InChIKey is JXYPEFMHXNECPL-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H12O4/c1-7-8(11)13-10(14-9(7)12)5-3-2-4-6-10/h2-3,11H,4-6H2,1H3/t10-/m1/s1.
What are the key properties of (6S)-2-hydroxy-3-methyl-1,5-dioxaspiro[5.5]undeca-2,9-dien-4-one?
(6S)-2-hydroxy-3-methyl-1,5-dioxaspiro[5.5]undeca-2,9-dien-4-one has a molecular weight of 196.20 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-hydroxy-3-methyl-1,5-dioxaspiro[5.5]undeca-2,9-dien-4-one is sourced from PubChem (CID 163697262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).