6-(hydroxymethyl)-2,5-dimethoxyoxan-3-ol

C8H16O5 — CID 146226308

IUPAC6-(hydroxymethyl)-2,5-dimethoxyoxan-3-ol
SMILESCOC1CC(O)C(OC)OC1CO
InChIInChI=1S/C8H16O5/c1-11-6-3-5(10)8(12-2)13-7(6)4-9/h5-10H,3-4H2,1-2H3
InChIKeySURQEXVILYPVPE-UHFFFAOYSA-N
MW192.21 g/mol
LogP-0.88
Rot. Bonds3

About 6-(hydroxymethyl)-2,5-dimethoxyoxan-3-ol

6-(hydroxymethyl)-2,5-dimethoxyoxan-3-ol (PubChem CID 146226308) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is 6-(hydroxymethyl)-2,5-dimethoxyoxan-3-ol.

Molecular Properties

Compound Name6-(hydroxymethyl)-2,5-dimethoxyoxan-3-ol
PubChem CID146226308
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Name6-(hydroxymethyl)-2,5-dimethoxyoxan-3-ol
SMILESCOC1CC(O)C(OC)OC1CO
InChIInChI=1S/C8H16O5/c1-11-6-3-5(10)8(12-2)13-7(6)4-9/h5-10H,3-4H2,1-2H3
InChIKeySURQEXVILYPVPE-UHFFFAOYSA-N
XLogP-0.88
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-methyloxan-3-ol
CID 11137649
(2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxyoxan-3-ol
CID 170851169
[(2S,3S,5R,6R)-3-(hydroxymethyl)-5,6-dimethoxy-1,4-dioxan-2-yl]methanol
CID 166639551
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250
(2S,5S)-2-methoxy-6-methyloxane-3,5-diol
CID 130896267
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889245
(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 11789546
(2S,3S,4S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12042993
(2R,4R,5S)-2-[(1S,4R)-5-hydroxy-2-(hydroxymethyl)-4-methoxycyclohexyl]oxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
CID 162699528
(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-trimethoxyoxan-3-ol
CID 54407177
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-5,6-dimethoxyoxane-3,4-diol
CID 11117256
(3R,4R,5R,6R)-6-(hydroxymethyl)-2,4,5-trimethoxyoxan-3-ol
CID 11608251

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-2,5-dimethoxyoxan-3-ol?
The IUPAC name of 6-(hydroxymethyl)-2,5-dimethoxyoxan-3-ol (CID 146226308) is 6-(hydroxymethyl)-2,5-dimethoxyoxan-3-ol.
What is the SMILES notation for 6-(hydroxymethyl)-2,5-dimethoxyoxan-3-ol?
The canonical SMILES for 6-(hydroxymethyl)-2,5-dimethoxyoxan-3-ol is COC1CC(O)C(OC)OC1CO.
What is the InChIKey of 6-(hydroxymethyl)-2,5-dimethoxyoxan-3-ol?
The InChIKey is SURQEXVILYPVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O5/c1-11-6-3-5(10)8(12-2)13-7(6)4-9/h5-10H,3-4H2,1-2H3.
What are the key properties of 6-(hydroxymethyl)-2,5-dimethoxyoxan-3-ol?
6-(hydroxymethyl)-2,5-dimethoxyoxan-3-ol has a molecular weight of 192.21 g/mol, XLogP of -0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-2,5-dimethoxyoxan-3-ol is sourced from PubChem (CID 146226308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).