(7R,10R)-6,10-dihydroxy-7-methoxy-9-methyl-1,8-dioxaspiro[4.5]decan-2-one

C10H16O6 — CID 138963982

IUPAC(7R,10R)-6,10-dihydroxy-7-methoxy-9-methyl-1,8-dioxaspiro[4.5]decan-2-one
SMILESCO[C@@H]1OC(C)[C@@H](O)C2(CCC(=O)O2)C1O
InChIInChI=1S/C10H16O6/c1-5-7(12)10(4-3-6(11)16-10)8(13)9(14-2)15-5/h5,7-9,12-13H,3-4H2,1-2H3/t5?,7-,8?,9-,10?/m1/s1
InChIKeySYQGMZKBFBLDKD-CERJDORZSA-N
MW232.23 g/mol
LogP-0.82
Rot. Bonds1

About (7R,10R)-6,10-dihydroxy-7-methoxy-9-methyl-1,8-dioxaspiro[4.5]decan-2-one

(7R,10R)-6,10-dihydroxy-7-methoxy-9-methyl-1,8-dioxaspiro[4.5]decan-2-one (PubChem CID 138963982) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is (7R,10R)-6,10-dihydroxy-7-methoxy-9-methyl-1,8-dioxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(7R,10R)-6,10-dihydroxy-7-methoxy-9-methyl-1,8-dioxaspiro[4.5]decan-2-one
PubChem CID138963982
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name(7R,10R)-6,10-dihydroxy-7-methoxy-9-methyl-1,8-dioxaspiro[4.5]decan-2-one
SMILESCO[C@@H]1OC(C)[C@@H](O)C2(CCC(=O)O2)C1O
InChIInChI=1S/C10H16O6/c1-5-7(12)10(4-3-6(11)16-10)8(13)9(14-2)15-5/h5,7-9,12-13H,3-4H2,1-2H3/t5?,7-,8?,9-,10?/m1/s1
InChIKeySYQGMZKBFBLDKD-CERJDORZSA-N
XLogP-0.82
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7R,10R)-6,10-dihydroxy-7-methoxy-9-methyl-1,8-dioxaspiro[4.5]decan-2-one?
The IUPAC name of (7R,10R)-6,10-dihydroxy-7-methoxy-9-methyl-1,8-dioxaspiro[4.5]decan-2-one (CID 138963982) is (7R,10R)-6,10-dihydroxy-7-methoxy-9-methyl-1,8-dioxaspiro[4.5]decan-2-one.
What is the SMILES notation for (7R,10R)-6,10-dihydroxy-7-methoxy-9-methyl-1,8-dioxaspiro[4.5]decan-2-one?
The canonical SMILES for (7R,10R)-6,10-dihydroxy-7-methoxy-9-methyl-1,8-dioxaspiro[4.5]decan-2-one is CO[C@@H]1OC(C)[C@@H](O)C2(CCC(=O)O2)C1O.
What is the InChIKey of (7R,10R)-6,10-dihydroxy-7-methoxy-9-methyl-1,8-dioxaspiro[4.5]decan-2-one?
The InChIKey is SYQGMZKBFBLDKD-CERJDORZSA-N. The full InChI is InChI=1S/C10H16O6/c1-5-7(12)10(4-3-6(11)16-10)8(13)9(14-2)15-5/h5,7-9,12-13H,3-4H2,1-2H3/t5?,7-,8?,9-,10?/m1/s1.
What are the key properties of (7R,10R)-6,10-dihydroxy-7-methoxy-9-methyl-1,8-dioxaspiro[4.5]decan-2-one?
(7R,10R)-6,10-dihydroxy-7-methoxy-9-methyl-1,8-dioxaspiro[4.5]decan-2-one has a molecular weight of 232.23 g/mol, XLogP of -0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,10R)-6,10-dihydroxy-7-methoxy-9-methyl-1,8-dioxaspiro[4.5]decan-2-one is sourced from PubChem (CID 138963982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).