(2R,3R,6R,7S,8S)-7-methoxy-6-methyl-4-oxaspiro[2.5]octane-2,8-diol

C9H16O4 — CID 163850650

IUPAC(2R,3R,6R,7S,8S)-7-methoxy-6-methyl-4-oxaspiro[2.5]octane-2,8-diol
SMILESCO[C@H]1[C@H](C)CO[C@@]2(C[C@H]2O)[C@H]1O
InChIInChI=1S/C9H16O4/c1-5-4-13-9(3-6(9)10)8(11)7(5)12-2/h5-8,10-11H,3-4H2,1-2H3/t5-,6-,7+,8+,9-/m1/s1
InChIKeyOUBLBDWGOKOPMM-XGQMLPDNSA-N
MW188.22 g/mol
LogP-0.47
Rot. Bonds1

About (2R,3R,6R,7S,8S)-7-methoxy-6-methyl-4-oxaspiro[2.5]octane-2,8-diol

(2R,3R,6R,7S,8S)-7-methoxy-6-methyl-4-oxaspiro[2.5]octane-2,8-diol (PubChem CID 163850650) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is (2R,3R,6R,7S,8S)-7-methoxy-6-methyl-4-oxaspiro[2.5]octane-2,8-diol.

Molecular Properties

Compound Name(2R,3R,6R,7S,8S)-7-methoxy-6-methyl-4-oxaspiro[2.5]octane-2,8-diol
PubChem CID163850650
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name(2R,3R,6R,7S,8S)-7-methoxy-6-methyl-4-oxaspiro[2.5]octane-2,8-diol
SMILESCO[C@H]1[C@H](C)CO[C@@]2(C[C@H]2O)[C@H]1O
InChIInChI=1S/C9H16O4/c1-5-4-13-9(3-6(9)10)8(11)7(5)12-2/h5-8,10-11H,3-4H2,1-2H3/t5-,6-,7+,8+,9-/m1/s1
InChIKeyOUBLBDWGOKOPMM-XGQMLPDNSA-N
XLogP-0.47
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3R,6R,7S,8S)-7-methoxy-6-methyl-4-oxaspiro[2.5]octane-2,8-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R,6R,7S,8S)-7-methoxy-6-methyl-4-oxaspiro[2.5]octane-2,8-diol?
The IUPAC name of (2R,3R,6R,7S,8S)-7-methoxy-6-methyl-4-oxaspiro[2.5]octane-2,8-diol (CID 163850650) is (2R,3R,6R,7S,8S)-7-methoxy-6-methyl-4-oxaspiro[2.5]octane-2,8-diol.
What is the SMILES notation for (2R,3R,6R,7S,8S)-7-methoxy-6-methyl-4-oxaspiro[2.5]octane-2,8-diol?
The canonical SMILES for (2R,3R,6R,7S,8S)-7-methoxy-6-methyl-4-oxaspiro[2.5]octane-2,8-diol is CO[C@H]1[C@H](C)CO[C@@]2(C[C@H]2O)[C@H]1O.
What is the InChIKey of (2R,3R,6R,7S,8S)-7-methoxy-6-methyl-4-oxaspiro[2.5]octane-2,8-diol?
The InChIKey is OUBLBDWGOKOPMM-XGQMLPDNSA-N. The full InChI is InChI=1S/C9H16O4/c1-5-4-13-9(3-6(9)10)8(11)7(5)12-2/h5-8,10-11H,3-4H2,1-2H3/t5-,6-,7+,8+,9-/m1/s1.
What are the key properties of (2R,3R,6R,7S,8S)-7-methoxy-6-methyl-4-oxaspiro[2.5]octane-2,8-diol?
(2R,3R,6R,7S,8S)-7-methoxy-6-methyl-4-oxaspiro[2.5]octane-2,8-diol has a molecular weight of 188.22 g/mol, XLogP of -0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6R,7S,8S)-7-methoxy-6-methyl-4-oxaspiro[2.5]octane-2,8-diol is sourced from PubChem (CID 163850650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).