2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol

C8H16O4 — CID 19699685

IUPAC2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol
SMILESCOC1C(C)COC(CO)C1O
InChIInChI=1S/C8H16O4/c1-5-4-12-6(3-9)7(10)8(5)11-2/h5-10H,3-4H2,1-2H3
InChIKeyYQJYLRAPISSQNQ-UHFFFAOYSA-N
MW176.21 g/mol
LogP-0.61
Rot. Bonds2

About 2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol

2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol (PubChem CID 19699685) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol
PubChem CID19699685
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol
SMILESCOC1C(C)COC(CO)C1O
InChIInChI=1S/C8H16O4/c1-5-4-12-6(3-9)7(10)8(5)11-2/h5-10H,3-4H2,1-2H3
InChIKeyYQJYLRAPISSQNQ-UHFFFAOYSA-N
XLogP-0.61
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol
CID 58017669
2-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 19699733
(2R,3R,4R,5S)-2-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 18645218
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-methyloxane-3,4-diol
CID 142842456
4-methoxy-2,5-dimethyloxan-3-ol
CID 57076356
(2S,3R,4R,5S)-4-methoxy-5-methyl-2-nonyloxan-3-ol
CID 57068245
(3R,4R,5S,6S)-6-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol
CID 100993548
2-(heptoxymethyl)-4-methoxy-5-methyloxan-3-ol
CID 19699711
[(2S,3R,4S)-3,4-dimethoxyoxolan-2-yl]methanol
CID 131019515
(3R,4S,5R,6R)-6-(hydroxy(113C)methyl)-4-methoxyoxane-2,3,5-triol
CID 90472763
6-(hydroxymethyl)-5-methyloxan-3-ol
CID 123248394
(2R,3S,4R,5R,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol
CID 97050066

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol?
The IUPAC name of 2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol (CID 19699685) is 2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol.
What is the SMILES notation for 2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol?
The canonical SMILES for 2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol is COC1C(C)COC(CO)C1O.
What is the InChIKey of 2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol?
The InChIKey is YQJYLRAPISSQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-5-4-12-6(3-9)7(10)8(5)11-2/h5-10H,3-4H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol?
2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol has a molecular weight of 176.21 g/mol, XLogP of -0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol is sourced from PubChem (CID 19699685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).