(2S,6S,7R,8S)-2,6,7,8-tetramethoxy-4-oxaspiro[2.5]octane

C11H20O5 — CID 163649930

IUPAC(2S,6S,7R,8S)-2,6,7,8-tetramethoxy-4-oxaspiro[2.5]octane
SMILESCO[C@@H]1[C@@H](OC)COC2(C[C@@H]2OC)[C@H]1OC
InChIInChI=1S/C11H20O5/c1-12-7-6-16-11(5-8(11)13-2)10(15-4)9(7)14-3/h7-10H,5-6H2,1-4H3/t7-,8-,9+,10-,11?/m0/s1
InChIKeyILJWDMNKMCUNAL-GEPHSGDCSA-N
MW232.28 g/mol
LogP0.22
Rot. Bonds4

About (2S,6S,7R,8S)-2,6,7,8-tetramethoxy-4-oxaspiro[2.5]octane

(2S,6S,7R,8S)-2,6,7,8-tetramethoxy-4-oxaspiro[2.5]octane (PubChem CID 163649930) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2S,6S,7R,8S)-2,6,7,8-tetramethoxy-4-oxaspiro[2.5]octane.

Molecular Properties

Compound Name(2S,6S,7R,8S)-2,6,7,8-tetramethoxy-4-oxaspiro[2.5]octane
PubChem CID163649930
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name(2S,6S,7R,8S)-2,6,7,8-tetramethoxy-4-oxaspiro[2.5]octane
SMILESCO[C@@H]1[C@@H](OC)COC2(C[C@@H]2OC)[C@H]1OC
InChIInChI=1S/C11H20O5/c1-12-7-6-16-11(5-8(11)13-2)10(15-4)9(7)14-3/h7-10H,5-6H2,1-4H3/t7-,8-,9+,10-,11?/m0/s1
InChIKeyILJWDMNKMCUNAL-GEPHSGDCSA-N
XLogP0.22
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S,6S,7R,8S)-2,6,7,8-tetramethoxy-4-oxaspiro[2.5]octane 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 (2S,6S,7R,8S)-2,6,7,8-tetramethoxy-4-oxaspiro[2.5]octane?
The IUPAC name of (2S,6S,7R,8S)-2,6,7,8-tetramethoxy-4-oxaspiro[2.5]octane (CID 163649930) is (2S,6S,7R,8S)-2,6,7,8-tetramethoxy-4-oxaspiro[2.5]octane.
What is the SMILES notation for (2S,6S,7R,8S)-2,6,7,8-tetramethoxy-4-oxaspiro[2.5]octane?
The canonical SMILES for (2S,6S,7R,8S)-2,6,7,8-tetramethoxy-4-oxaspiro[2.5]octane is CO[C@@H]1[C@@H](OC)COC2(C[C@@H]2OC)[C@H]1OC.
What is the InChIKey of (2S,6S,7R,8S)-2,6,7,8-tetramethoxy-4-oxaspiro[2.5]octane?
The InChIKey is ILJWDMNKMCUNAL-GEPHSGDCSA-N. The full InChI is InChI=1S/C11H20O5/c1-12-7-6-16-11(5-8(11)13-2)10(15-4)9(7)14-3/h7-10H,5-6H2,1-4H3/t7-,8-,9+,10-,11?/m0/s1.
What are the key properties of (2S,6S,7R,8S)-2,6,7,8-tetramethoxy-4-oxaspiro[2.5]octane?
(2S,6S,7R,8S)-2,6,7,8-tetramethoxy-4-oxaspiro[2.5]octane has a molecular weight of 232.28 g/mol, XLogP of 0.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S,7R,8S)-2,6,7,8-tetramethoxy-4-oxaspiro[2.5]octane is sourced from PubChem (CID 163649930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).