(3S,5S)-3-ethoxy-5-methyldioxolane

C6H12O3 — CID 119097936

IUPAC(3S,5S)-3-ethoxy-5-methyldioxolane
SMILESCCO[C@@H]1C[C@H](C)OO1
InChIInChI=1S/C6H12O3/c1-3-7-6-4-5(2)8-9-6/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyXUQZIENMIMXBDS-WDSKDSINSA-N
MW132.16 g/mol
LogP1.09
Rot. Bonds2

About (3S,5S)-3-ethoxy-5-methyldioxolane

(3S,5S)-3-ethoxy-5-methyldioxolane (PubChem CID 119097936) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is (3S,5S)-3-ethoxy-5-methyldioxolane.

Molecular Properties

Compound Name(3S,5S)-3-ethoxy-5-methyldioxolane
PubChem CID119097936
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name(3S,5S)-3-ethoxy-5-methyldioxolane
SMILESCCO[C@@H]1C[C@H](C)OO1
InChIInChI=1S/C6H12O3/c1-3-7-6-4-5(2)8-9-6/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyXUQZIENMIMXBDS-WDSKDSINSA-N
XLogP1.09
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,4R)-2-ethoxy-4-methyloxolane
CID 102317683
(2R,4S)-2-ethoxy-4-methyloxolane
CID 10558657
(3R,4R,6R)-6-ethoxy-2,3,4-trimethyloxane
CID 58651620
(2R,3S,4R,6R)-6-ethoxy-2-methyloxane-3,4-diol
CID 11030343
6-ethoxy-2-methyloxane-3,4-diol
CID 20764116
methyl (Z)-3-[(3S,5S)-5-ethoxydioxolan-3-yl]prop-2-enoate
CID 10330476
3,4-diethoxydioxetane
CID 59986645
(2S,3S,5S,6R)-4-ethoxy-3,5-dimethoxy-2,6-dimethyloxane
CID 163737733
2,4-dimethyl-6-propoxy-1,3-dioxane
CID 89315667
ethane;1-ethoxy-3-methylcyclobutane
CID 169190771
(2S,3S,4S,5S,6S)-3-ethoxy-4,5-dimethoxy-2,6-dimethyloxane
CID 58620285
(3-ethoxy-5-methyloxolan-2-yl)methanol
CID 59687260

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-ethoxy-5-methyldioxolane?
The IUPAC name of (3S,5S)-3-ethoxy-5-methyldioxolane (CID 119097936) is (3S,5S)-3-ethoxy-5-methyldioxolane.
What is the SMILES notation for (3S,5S)-3-ethoxy-5-methyldioxolane?
The canonical SMILES for (3S,5S)-3-ethoxy-5-methyldioxolane is CCO[C@@H]1C[C@H](C)OO1.
What is the InChIKey of (3S,5S)-3-ethoxy-5-methyldioxolane?
The InChIKey is XUQZIENMIMXBDS-WDSKDSINSA-N. The full InChI is InChI=1S/C6H12O3/c1-3-7-6-4-5(2)8-9-6/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of (3S,5S)-3-ethoxy-5-methyldioxolane?
(3S,5S)-3-ethoxy-5-methyldioxolane has a molecular weight of 132.16 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3-ethoxy-5-methyldioxolane is sourced from PubChem (CID 119097936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).