2-(hydroxymethyl)-6-methoxy-5-propan-2-yloxane-3,4-diol

C10H20O5 — CID 134313664

IUPAC2-(hydroxymethyl)-6-methoxy-5-propan-2-yloxane-3,4-diol
SMILESCOC1OC(CO)C(O)C(O)C1C(C)C
InChIInChI=1S/C10H20O5/c1-5(2)7-9(13)8(12)6(4-11)15-10(7)14-3/h5-13H,4H2,1-3H3
InChIKeyZQGFYZQYYLOYDY-UHFFFAOYSA-N
MW220.26 g/mol
LogP-0.66
Rot. Bonds3

About 2-(hydroxymethyl)-6-methoxy-5-propan-2-yloxane-3,4-diol

2-(hydroxymethyl)-6-methoxy-5-propan-2-yloxane-3,4-diol (PubChem CID 134313664) has the molecular formula C10H20O5 and a molecular weight of 220.26 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-methoxy-5-propan-2-yloxane-3,4-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-methoxy-5-propan-2-yloxane-3,4-diol
PubChem CID134313664
Molecular FormulaC10H20O5
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name2-(hydroxymethyl)-6-methoxy-5-propan-2-yloxane-3,4-diol
SMILESCOC1OC(CO)C(O)C(O)C1C(C)C
InChIInChI=1S/C10H20O5/c1-5(2)7-9(13)8(12)6(4-11)15-10(7)14-3/h5-13H,4H2,1-3H3
InChIKeyZQGFYZQYYLOYDY-UHFFFAOYSA-N
XLogP-0.66
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250
(2S,3S,4S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12042993
(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
(2R,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89334759
(2S,3S,4R,5R,6S,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 90760723
(2R,3R,4S,5R,6R)-2-(hydroxy(113C)methyl)-6-methoxy(2,3-13C2)oxane-3,4,5-triol
CID 101247773
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 160867169
(3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 132769952
(6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89221036
(2R,3S,4R,5S,6R,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 101497446
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-methoxy-5-methyloxane-3,4-diol
CID 88976224

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-methoxy-5-propan-2-yloxane-3,4-diol?
The IUPAC name of 2-(hydroxymethyl)-6-methoxy-5-propan-2-yloxane-3,4-diol (CID 134313664) is 2-(hydroxymethyl)-6-methoxy-5-propan-2-yloxane-3,4-diol.
What is the SMILES notation for 2-(hydroxymethyl)-6-methoxy-5-propan-2-yloxane-3,4-diol?
The canonical SMILES for 2-(hydroxymethyl)-6-methoxy-5-propan-2-yloxane-3,4-diol is COC1OC(CO)C(O)C(O)C1C(C)C.
What is the InChIKey of 2-(hydroxymethyl)-6-methoxy-5-propan-2-yloxane-3,4-diol?
The InChIKey is ZQGFYZQYYLOYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5/c1-5(2)7-9(13)8(12)6(4-11)15-10(7)14-3/h5-13H,4H2,1-3H3.
What are the key properties of 2-(hydroxymethyl)-6-methoxy-5-propan-2-yloxane-3,4-diol?
2-(hydroxymethyl)-6-methoxy-5-propan-2-yloxane-3,4-diol has a molecular weight of 220.26 g/mol, XLogP of -0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-methoxy-5-propan-2-yloxane-3,4-diol is sourced from PubChem (CID 134313664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).