6-(bromomethyl)-2,5-dimethoxyoxane-3,4-diol

C8H15BrO5 — CID 123587223

IUPAC6-(bromomethyl)-2,5-dimethoxyoxane-3,4-diol
SMILESCOC1OC(CBr)C(OC)C(O)C1O
InChIInChI=1S/C8H15BrO5/c1-12-7-4(3-9)14-8(13-2)6(11)5(7)10/h4-8,10-11H,3H2,1-2H3
InChIKeyCVRZBPBYZXTPHV-UHFFFAOYSA-N
MW271.11 g/mol
LogP-0.51
Rot. Bonds3

About 6-(bromomethyl)-2,5-dimethoxyoxane-3,4-diol

6-(bromomethyl)-2,5-dimethoxyoxane-3,4-diol (PubChem CID 123587223) has the molecular formula C8H15BrO5 and a molecular weight of 271.11 g/mol. Its IUPAC name is 6-(bromomethyl)-2,5-dimethoxyoxane-3,4-diol.

Molecular Properties

Compound Name6-(bromomethyl)-2,5-dimethoxyoxane-3,4-diol
PubChem CID123587223
Molecular FormulaC8H15BrO5
Molecular Weight271.11 g/mol
Exact Mass270.01
IUPAC Name6-(bromomethyl)-2,5-dimethoxyoxane-3,4-diol
SMILESCOC1OC(CBr)C(OC)C(O)C1O
InChIInChI=1S/C8H15BrO5/c1-12-7-4(3-9)14-8(13-2)6(11)5(7)10/h4-8,10-11H,3H2,1-2H3
InChIKeyCVRZBPBYZXTPHV-UHFFFAOYSA-N
XLogP-0.51
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,4S,5S)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol
CID 153463753
(3R,4R,5R)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol
CID 58090235
6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol;methane
CID 163618143
(2S,3S,4S,5R,6S)-2-(bromomethyl)-3,4,5,6-tetramethoxyoxane
CID 14374457
5-methoxyoxolane-2,3,4-triol
CID 122494930
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889245
(2S,3S,4S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12042993
(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 11789546
(2S,3R,4R,5S)-2,5-dimethoxyoxolane-3,4-diol
CID 99945935
(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-(bromomethyl)-2,5-dimethoxyoxane-3,4-diol?
The IUPAC name of 6-(bromomethyl)-2,5-dimethoxyoxane-3,4-diol (CID 123587223) is 6-(bromomethyl)-2,5-dimethoxyoxane-3,4-diol.
What is the SMILES notation for 6-(bromomethyl)-2,5-dimethoxyoxane-3,4-diol?
The canonical SMILES for 6-(bromomethyl)-2,5-dimethoxyoxane-3,4-diol is COC1OC(CBr)C(OC)C(O)C1O.
What is the InChIKey of 6-(bromomethyl)-2,5-dimethoxyoxane-3,4-diol?
The InChIKey is CVRZBPBYZXTPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrO5/c1-12-7-4(3-9)14-8(13-2)6(11)5(7)10/h4-8,10-11H,3H2,1-2H3.
What are the key properties of 6-(bromomethyl)-2,5-dimethoxyoxane-3,4-diol?
6-(bromomethyl)-2,5-dimethoxyoxane-3,4-diol has a molecular weight of 271.11 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-2,5-dimethoxyoxane-3,4-diol is sourced from PubChem (CID 123587223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).