(3R,5S)-5-methoxy-3-methyldioxolan-3-ol

C5H10O4 — CID 11412410

IUPAC(3R,5S)-5-methoxy-3-methyldioxolan-3-ol
SMILESCO[C@@H]1C[C@](C)(O)OO1
InChIInChI=1S/C5H10O4/c1-5(6)3-4(7-2)8-9-5/h4,6H,3H2,1-2H3/t4-,5+/m0/s1
InChIKeyCYMIXAAOCCDNEH-CRCLSJGQSA-N
MW134.13 g/mol
LogP0.02
Rot. Bonds1

About (3R,5S)-5-methoxy-3-methyldioxolan-3-ol

(3R,5S)-5-methoxy-3-methyldioxolan-3-ol (PubChem CID 11412410) has the molecular formula C5H10O4 and a molecular weight of 134.13 g/mol. Its IUPAC name is (3R,5S)-5-methoxy-3-methyldioxolan-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-methoxy-3-methyldioxolan-3-ol
PubChem CID11412410
Molecular FormulaC5H10O4
Molecular Weight134.13 g/mol
Exact Mass134.06
IUPAC Name(3R,5S)-5-methoxy-3-methyldioxolan-3-ol
SMILESCO[C@@H]1C[C@](C)(O)OO1
InChIInChI=1S/C5H10O4/c1-5(6)3-4(7-2)8-9-5/h4,6H,3H2,1-2H3/t4-,5+/m0/s1
InChIKeyCYMIXAAOCCDNEH-CRCLSJGQSA-N
XLogP0.02
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

(3S,6R)-6-methoxy-3-methyldioxan-3-ol
CID 119098312
3,7-dimethoxy-3-methyldioxepane
CID 12679478
(2S,4R,6R)-4-hydroxy-6-methoxy-2,4-dimethyloxan-3-one
CID 143150247
4,6-dimethoxy-2,4-dimethyl-3-phosphanyloxan-3-ol
CID 143759548
(2R,3aS,4R,6aR)-4-methoxy-2-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ol
CID 10464766
(2R,3S,4S,6S)-4-amino-6-methoxy-2,4-dimethyloxan-3-ol
CID 23254147
[(2S,3S,4R)-4-hydroxy-6-methoxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate
CID 117066528
5-methoxy-2,2-dimethyloxolane
CID 19753537
(2R,3S,4R,6R)-4-(dimethylamino)-6-methoxy-2-methyloxane-3,4-diol
CID 22887274
2-cyclohexyl-4-methoxy-2-methyloxetane
CID 123235119
2,5-dimethoxy-1,4-dioxane
CID 12500492
(5R,7R)-5-methoxy-4-oxaspiro[2.5]octan-7-ol
CID 129387887

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-methoxy-3-methyldioxolan-3-ol?
The IUPAC name of (3R,5S)-5-methoxy-3-methyldioxolan-3-ol (CID 11412410) is (3R,5S)-5-methoxy-3-methyldioxolan-3-ol.
What is the SMILES notation for (3R,5S)-5-methoxy-3-methyldioxolan-3-ol?
The canonical SMILES for (3R,5S)-5-methoxy-3-methyldioxolan-3-ol is CO[C@@H]1C[C@](C)(O)OO1.
What is the InChIKey of (3R,5S)-5-methoxy-3-methyldioxolan-3-ol?
The InChIKey is CYMIXAAOCCDNEH-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H10O4/c1-5(6)3-4(7-2)8-9-5/h4,6H,3H2,1-2H3/t4-,5+/m0/s1.
What are the key properties of (3R,5S)-5-methoxy-3-methyldioxolan-3-ol?
(3R,5S)-5-methoxy-3-methyldioxolan-3-ol has a molecular weight of 134.13 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-methoxy-3-methyldioxolan-3-ol is sourced from PubChem (CID 11412410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).