(3S,6R)-6-methoxy-3-methyldioxan-3-ol

C6H12O4 — CID 119098312

IUPAC(3S,6R)-6-methoxy-3-methyldioxan-3-ol
SMILESCO[C@H]1CC[C@@](C)(O)OO1
InChIInChI=1S/C6H12O4/c1-6(7)4-3-5(8-2)9-10-6/h5,7H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKeyWNZFVERNQYOCJF-RITPCOANSA-N
MW148.16 g/mol
LogP0.41
Rot. Bonds1

About (3S,6R)-6-methoxy-3-methyldioxan-3-ol

(3S,6R)-6-methoxy-3-methyldioxan-3-ol (PubChem CID 119098312) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is (3S,6R)-6-methoxy-3-methyldioxan-3-ol.

Molecular Properties

Compound Name(3S,6R)-6-methoxy-3-methyldioxan-3-ol
PubChem CID119098312
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name(3S,6R)-6-methoxy-3-methyldioxan-3-ol
SMILESCO[C@H]1CC[C@@](C)(O)OO1
InChIInChI=1S/C6H12O4/c1-6(7)4-3-5(8-2)9-10-6/h5,7H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKeyWNZFVERNQYOCJF-RITPCOANSA-N
XLogP0.41
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.41
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

(3R,5S)-5-methoxy-3-methyldioxolan-3-ol
CID 11412410
3,7-dimethoxy-3-methyldioxepane
CID 12679478
5-methoxy-2,2-dimethyloxolane
CID 19753537
3-ethyl-6-methoxyoxan-3-ol
CID 135225267
(6Z,16Z)-10,20-dimethoxy-1,2,11,12-tetraoxacycloicosa-6,16-diene-3,13-diol
CID 23267723
1,2,3-trimethylcyclopentan-1-ol
CID 23077337
(1R,5R,8S)-4,4,8-trimethyl-2,3-dioxabicyclo[3.3.1]nonan-8-ol
CID 10012663
(2R,3aS,4R,6aR)-4-methoxy-2-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ol
CID 10464766
1-amino-4-methoxycyclohexan-1-ol
CID 170572997
(3S,6S)-6-methoxyoxan-3-ol
CID 22859546
(2S,4R,6R)-4-hydroxy-6-methoxy-2,4-dimethyloxan-3-one
CID 143150247
2-cyclohexyl-4-methoxy-2-methyloxetane
CID 123235119

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-6-methoxy-3-methyldioxan-3-ol?
The IUPAC name of (3S,6R)-6-methoxy-3-methyldioxan-3-ol (CID 119098312) is (3S,6R)-6-methoxy-3-methyldioxan-3-ol.
What is the SMILES notation for (3S,6R)-6-methoxy-3-methyldioxan-3-ol?
The canonical SMILES for (3S,6R)-6-methoxy-3-methyldioxan-3-ol is CO[C@H]1CC[C@@](C)(O)OO1.
What is the InChIKey of (3S,6R)-6-methoxy-3-methyldioxan-3-ol?
The InChIKey is WNZFVERNQYOCJF-RITPCOANSA-N. The full InChI is InChI=1S/C6H12O4/c1-6(7)4-3-5(8-2)9-10-6/h5,7H,3-4H2,1-2H3/t5-,6+/m1/s1.
What are the key properties of (3S,6R)-6-methoxy-3-methyldioxan-3-ol?
(3S,6R)-6-methoxy-3-methyldioxan-3-ol has a molecular weight of 148.16 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-6-methoxy-3-methyldioxan-3-ol is sourced from PubChem (CID 119098312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).