4-methoxyoxane-2,5-diol

C6H12O4 — CID 77322650

IUPAC4-methoxyoxane-2,5-diol
SMILESCOC1CC(O)OCC1O
InChIInChI=1S/C6H12O4/c1-9-5-2-6(8)10-3-4(5)7/h4-8H,2-3H2,1H3
InChIKeyKPVMMMIJOGALMF-UHFFFAOYSA-N
MW148.16 g/mol
LogP-0.90
Rot. Bonds1

About 4-methoxyoxane-2,5-diol

4-methoxyoxane-2,5-diol (PubChem CID 77322650) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is 4-methoxyoxane-2,5-diol.

Molecular Properties

Compound Name4-methoxyoxane-2,5-diol
PubChem CID77322650
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name4-methoxyoxane-2,5-diol
SMILESCOC1CC(O)OCC1O
InChIInChI=1S/C6H12O4/c1-9-5-2-6(8)10-3-4(5)7/h4-8H,2-3H2,1H3
InChIKeyKPVMMMIJOGALMF-UHFFFAOYSA-N
XLogP-0.90
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S,5S)-5-methoxyoxane-2,4-diol
CID 10057644
(3R,4R,6R)-4-methoxy-6-methyloxan-3-ol
CID 130756930
(3R,4R,6R)-4,6-dimethoxyoxan-3-ol
CID 131103746
(2S,4S,5S)-oxane-2,4,5-triol
CID 11859680
(3S,6S,6aR)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 163517831
2-methoxy-4-(oxiran-2-yl)cyclohexan-1-ol
CID 23118753
4-methyloxolan-2-ol
CID 11007834
(1R,2R,3S)-3-methoxycyclobutane-1,2-diol
CID 22814752
(2R,3S,4S)-2-methoxyoxolane-3,4-diol
CID 130831872
(2R,3R,4S)-2-methoxyoxolane-3,4-diol
CID 14443636
(2S,4R,5R)-2-methoxyoxane-3,4,5-triol
CID 24802344
(3S,4S,6R)-4-amino-6-methoxyoxan-3-ol
CID 55289944

Frequently Asked Questions

What is the IUPAC name of 4-methoxyoxane-2,5-diol?
The IUPAC name of 4-methoxyoxane-2,5-diol (CID 77322650) is 4-methoxyoxane-2,5-diol.
What is the SMILES notation for 4-methoxyoxane-2,5-diol?
The canonical SMILES for 4-methoxyoxane-2,5-diol is COC1CC(O)OCC1O.
What is the InChIKey of 4-methoxyoxane-2,5-diol?
The InChIKey is KPVMMMIJOGALMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4/c1-9-5-2-6(8)10-3-4(5)7/h4-8H,2-3H2,1H3.
What are the key properties of 4-methoxyoxane-2,5-diol?
4-methoxyoxane-2,5-diol has a molecular weight of 148.16 g/mol, XLogP of -0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxyoxane-2,5-diol is sourced from PubChem (CID 77322650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).