(3R,4R,5S,6R)-5-methoxy-4-(2-methoxypropan-2-yl)-1-oxaspiro[2.5]octan-6-ol

C12H22O4 — CID 149282015

IUPAC(3R,4R,5S,6R)-5-methoxy-4-(2-methoxypropan-2-yl)-1-oxaspiro[2.5]octan-6-ol
SMILESCO[C@@H]1[C@H](O)CC[C@]2(CO2)[C@H]1C(C)(C)OC
InChIInChI=1S/C12H22O4/c1-11(2,15-4)10-9(14-3)8(13)5-6-12(10)7-16-12/h8-10,13H,5-7H2,1-4H3/t8-,9-,10-,12+/m1/s1
InChIKeyXTDHDXQEXIJLSA-BFLSOPEQSA-N
MW230.30 g/mol
LogP0.97
Rot. Bonds3

About (3R,4R,5S,6R)-5-methoxy-4-(2-methoxypropan-2-yl)-1-oxaspiro[2.5]octan-6-ol

(3R,4R,5S,6R)-5-methoxy-4-(2-methoxypropan-2-yl)-1-oxaspiro[2.5]octan-6-ol (PubChem CID 149282015) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is (3R,4R,5S,6R)-5-methoxy-4-(2-methoxypropan-2-yl)-1-oxaspiro[2.5]octan-6-ol.

Molecular Properties

Compound Name(3R,4R,5S,6R)-5-methoxy-4-(2-methoxypropan-2-yl)-1-oxaspiro[2.5]octan-6-ol
PubChem CID149282015
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name(3R,4R,5S,6R)-5-methoxy-4-(2-methoxypropan-2-yl)-1-oxaspiro[2.5]octan-6-ol
SMILESCO[C@@H]1[C@H](O)CC[C@]2(CO2)[C@H]1C(C)(C)OC
InChIInChI=1S/C12H22O4/c1-11(2,15-4)10-9(14-3)8(13)5-6-12(10)7-16-12/h8-10,13H,5-7H2,1-4H3/t8-,9-,10-,12+/m1/s1
InChIKeyXTDHDXQEXIJLSA-BFLSOPEQSA-N
XLogP0.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (3R,4R,5S,6R)-5-methoxy-4-(2-methoxypropan-2-yl)-1-oxaspiro[2.5]octan-6-ol 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 (3R,4R,5S,6R)-5-methoxy-4-(2-methoxypropan-2-yl)-1-oxaspiro[2.5]octan-6-ol?
The IUPAC name of (3R,4R,5S,6R)-5-methoxy-4-(2-methoxypropan-2-yl)-1-oxaspiro[2.5]octan-6-ol (CID 149282015) is (3R,4R,5S,6R)-5-methoxy-4-(2-methoxypropan-2-yl)-1-oxaspiro[2.5]octan-6-ol.
What is the SMILES notation for (3R,4R,5S,6R)-5-methoxy-4-(2-methoxypropan-2-yl)-1-oxaspiro[2.5]octan-6-ol?
The canonical SMILES for (3R,4R,5S,6R)-5-methoxy-4-(2-methoxypropan-2-yl)-1-oxaspiro[2.5]octan-6-ol is CO[C@@H]1[C@H](O)CC[C@]2(CO2)[C@H]1C(C)(C)OC.
What is the InChIKey of (3R,4R,5S,6R)-5-methoxy-4-(2-methoxypropan-2-yl)-1-oxaspiro[2.5]octan-6-ol?
The InChIKey is XTDHDXQEXIJLSA-BFLSOPEQSA-N. The full InChI is InChI=1S/C12H22O4/c1-11(2,15-4)10-9(14-3)8(13)5-6-12(10)7-16-12/h8-10,13H,5-7H2,1-4H3/t8-,9-,10-,12+/m1/s1.
What are the key properties of (3R,4R,5S,6R)-5-methoxy-4-(2-methoxypropan-2-yl)-1-oxaspiro[2.5]octan-6-ol?
(3R,4R,5S,6R)-5-methoxy-4-(2-methoxypropan-2-yl)-1-oxaspiro[2.5]octan-6-ol has a molecular weight of 230.30 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S,6R)-5-methoxy-4-(2-methoxypropan-2-yl)-1-oxaspiro[2.5]octan-6-ol is sourced from PubChem (CID 149282015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).