(1R,5R,7R,8R)-1-hydroxy-7,8-dimethoxy-7,8-dimethyl-6,9-dioxaspiro[4.5]dec-2-en-4-one

C12H18O6 — CID 102406005

IUPAC(1R,5R,7R,8R)-1-hydroxy-7,8-dimethoxy-7,8-dimethyl-6,9-dioxaspiro[4.5]dec-2-en-4-one
SMILESCO[C@]1(C)OC[C@]2(O[C@@]1(C)OC)C(=O)C=C[C@H]2O
InChIInChI=1S/C12H18O6/c1-10(15-3)11(2,16-4)18-12(7-17-10)8(13)5-6-9(12)14/h5-6,8,13H,7H2,1-4H3/t8-,10-,11-,12-/m1/s1
InChIKeyXXHLVMROJGSRGA-HJQYOEGKSA-N
MW258.27 g/mol
LogP-0.00
Rot. Bonds2

About (1R,5R,7R,8R)-1-hydroxy-7,8-dimethoxy-7,8-dimethyl-6,9-dioxaspiro[4.5]dec-2-en-4-one

(1R,5R,7R,8R)-1-hydroxy-7,8-dimethoxy-7,8-dimethyl-6,9-dioxaspiro[4.5]dec-2-en-4-one (PubChem CID 102406005) has the molecular formula C12H18O6 and a molecular weight of 258.27 g/mol. Its IUPAC name is (1R,5R,7R,8R)-1-hydroxy-7,8-dimethoxy-7,8-dimethyl-6,9-dioxaspiro[4.5]dec-2-en-4-one.

Molecular Properties

Compound Name(1R,5R,7R,8R)-1-hydroxy-7,8-dimethoxy-7,8-dimethyl-6,9-dioxaspiro[4.5]dec-2-en-4-one
PubChem CID102406005
Molecular FormulaC12H18O6
Molecular Weight258.27 g/mol
Exact Mass258.11
IUPAC Name(1R,5R,7R,8R)-1-hydroxy-7,8-dimethoxy-7,8-dimethyl-6,9-dioxaspiro[4.5]dec-2-en-4-one
SMILESCO[C@]1(C)OC[C@]2(O[C@@]1(C)OC)C(=O)C=C[C@H]2O
InChIInChI=1S/C12H18O6/c1-10(15-3)11(2,16-4)18-12(7-17-10)8(13)5-6-9(12)14/h5-6,8,13H,7H2,1-4H3/t8-,10-,11-,12-/m1/s1
InChIKeyXXHLVMROJGSRGA-HJQYOEGKSA-N
XLogP-0.00
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R,5R,7R,8R)-1-hydroxy-7,8-dimethoxy-7,8-dimethyl-6,9-dioxaspiro[4.5]dec-2-en-4-one?
The IUPAC name of (1R,5R,7R,8R)-1-hydroxy-7,8-dimethoxy-7,8-dimethyl-6,9-dioxaspiro[4.5]dec-2-en-4-one (CID 102406005) is (1R,5R,7R,8R)-1-hydroxy-7,8-dimethoxy-7,8-dimethyl-6,9-dioxaspiro[4.5]dec-2-en-4-one.
What is the SMILES notation for (1R,5R,7R,8R)-1-hydroxy-7,8-dimethoxy-7,8-dimethyl-6,9-dioxaspiro[4.5]dec-2-en-4-one?
The canonical SMILES for (1R,5R,7R,8R)-1-hydroxy-7,8-dimethoxy-7,8-dimethyl-6,9-dioxaspiro[4.5]dec-2-en-4-one is CO[C@]1(C)OC[C@]2(O[C@@]1(C)OC)C(=O)C=C[C@H]2O.
What is the InChIKey of (1R,5R,7R,8R)-1-hydroxy-7,8-dimethoxy-7,8-dimethyl-6,9-dioxaspiro[4.5]dec-2-en-4-one?
The InChIKey is XXHLVMROJGSRGA-HJQYOEGKSA-N. The full InChI is InChI=1S/C12H18O6/c1-10(15-3)11(2,16-4)18-12(7-17-10)8(13)5-6-9(12)14/h5-6,8,13H,7H2,1-4H3/t8-,10-,11-,12-/m1/s1.
What are the key properties of (1R,5R,7R,8R)-1-hydroxy-7,8-dimethoxy-7,8-dimethyl-6,9-dioxaspiro[4.5]dec-2-en-4-one?
(1R,5R,7R,8R)-1-hydroxy-7,8-dimethoxy-7,8-dimethyl-6,9-dioxaspiro[4.5]dec-2-en-4-one has a molecular weight of 258.27 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,7R,8R)-1-hydroxy-7,8-dimethoxy-7,8-dimethyl-6,9-dioxaspiro[4.5]dec-2-en-4-one is sourced from PubChem (CID 102406005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).