(3S,6S)-6-methoxyoxan-3-ol

C6H12O3 — CID 22859546

IUPAC(3S,6S)-6-methoxyoxan-3-ol
SMILESCO[C@@H]1CC[C@H](O)CO1
InChIInChI=1S/C6H12O3/c1-8-6-3-2-5(7)4-9-6/h5-7H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyMGCVEMGADCDADD-WDSKDSINSA-N
MW132.16 g/mol
LogP0.13
Rot. Bonds1

About (3S,6S)-6-methoxyoxan-3-ol

(3S,6S)-6-methoxyoxan-3-ol (PubChem CID 22859546) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is (3S,6S)-6-methoxyoxan-3-ol.

Molecular Properties

Compound Name(3S,6S)-6-methoxyoxan-3-ol
PubChem CID22859546
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name(3S,6S)-6-methoxyoxan-3-ol
SMILESCO[C@@H]1CC[C@H](O)CO1
InChIInChI=1S/C6H12O3/c1-8-6-3-2-5(7)4-9-6/h5-7H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyMGCVEMGADCDADD-WDSKDSINSA-N
XLogP0.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,6S)-6-methoxyoxan-3-ol?
The IUPAC name of (3S,6S)-6-methoxyoxan-3-ol (CID 22859546) is (3S,6S)-6-methoxyoxan-3-ol.
What is the SMILES notation for (3S,6S)-6-methoxyoxan-3-ol?
The canonical SMILES for (3S,6S)-6-methoxyoxan-3-ol is CO[C@@H]1CC[C@H](O)CO1.
What is the InChIKey of (3S,6S)-6-methoxyoxan-3-ol?
The InChIKey is MGCVEMGADCDADD-WDSKDSINSA-N. The full InChI is InChI=1S/C6H12O3/c1-8-6-3-2-5(7)4-9-6/h5-7H,2-4H2,1H3/t5-,6-/m0/s1.
What are the key properties of (3S,6S)-6-methoxyoxan-3-ol?
(3S,6S)-6-methoxyoxan-3-ol has a molecular weight of 132.16 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-6-methoxyoxan-3-ol is sourced from PubChem (CID 22859546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).