(2R)-6-(hydroxymethyl)-4-methoxy-2-methyloxan-3-ol

C8H16O4 — CID 129171598

IUPAC(2R)-6-(hydroxymethyl)-4-methoxy-2-methyloxan-3-ol
SMILESCOC1CC(CO)O[C@H](C)C1O
InChIInChI=1S/C8H16O4/c1-5-8(10)7(11-2)3-6(4-9)12-5/h5-10H,3-4H2,1-2H3/t5-,6?,7?,8?/m1/s1
InChIKeyWAFXWPWHRSFFTF-NIYQRSRNSA-N
MW176.21 g/mol
LogP-0.47
Rot. Bonds2

About (2R)-6-(hydroxymethyl)-4-methoxy-2-methyloxan-3-ol

(2R)-6-(hydroxymethyl)-4-methoxy-2-methyloxan-3-ol (PubChem CID 129171598) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is (2R)-6-(hydroxymethyl)-4-methoxy-2-methyloxan-3-ol.

Molecular Properties

Compound Name(2R)-6-(hydroxymethyl)-4-methoxy-2-methyloxan-3-ol
PubChem CID129171598
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name(2R)-6-(hydroxymethyl)-4-methoxy-2-methyloxan-3-ol
SMILESCOC1CC(CO)O[C@H](C)C1O
InChIInChI=1S/C8H16O4/c1-5-8(10)7(11-2)3-6(4-9)12-5/h5-10H,3-4H2,1-2H3/t5-,6?,7?,8?/m1/s1
InChIKeyWAFXWPWHRSFFTF-NIYQRSRNSA-N
XLogP-0.47
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 ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-6-(hydroxymethyl)-4-methoxy-2-methyloxan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-hydroxy-4-methoxy-6-methyloxan-2-yl)methyl acetate
CID 145462771
ethane;6-(hydroxymethyl)-2-methyloxane-3,4-diol
CID 143276488
(2S,3S,4S,6R)-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 93090180
4-methoxy-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-3-ol
CID 166761639
(2R,3R,4R,6S)-6-[(2R,3R,4S,6S)-4,6-dimethoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-ol
CID 162926783
ethane;6-(hydroxymethyl)-3-methoxy-2-methyloxan-4-ol;methanethioic S-acid
CID 144720636
(2R,3S,4R,6R)-2,4-dimethoxy-6-methyloxan-3-ol
CID 130927435
(4R,5S,6S)-5-[(2S,4R,5S,6S)-5-[(2R,4R,5S,6S)-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-ol
CID 91846452
(4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4R,5R,6R)-5-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-ol
CID 91851289
(4R,5S,6S)-5-[(2S,4R,5S,6S)-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-ol
CID 91852368
(4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-ol
CID 91859049
(4S,5R,6R)-5-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-ol
CID 91852058

Frequently Asked Questions

What is the IUPAC name of (2R)-6-(hydroxymethyl)-4-methoxy-2-methyloxan-3-ol?
The IUPAC name of (2R)-6-(hydroxymethyl)-4-methoxy-2-methyloxan-3-ol (CID 129171598) is (2R)-6-(hydroxymethyl)-4-methoxy-2-methyloxan-3-ol.
What is the SMILES notation for (2R)-6-(hydroxymethyl)-4-methoxy-2-methyloxan-3-ol?
The canonical SMILES for (2R)-6-(hydroxymethyl)-4-methoxy-2-methyloxan-3-ol is COC1CC(CO)O[C@H](C)C1O.
What is the InChIKey of (2R)-6-(hydroxymethyl)-4-methoxy-2-methyloxan-3-ol?
The InChIKey is WAFXWPWHRSFFTF-NIYQRSRNSA-N. The full InChI is InChI=1S/C8H16O4/c1-5-8(10)7(11-2)3-6(4-9)12-5/h5-10H,3-4H2,1-2H3/t5-,6?,7?,8?/m1/s1.
What are the key properties of (2R)-6-(hydroxymethyl)-4-methoxy-2-methyloxan-3-ol?
(2R)-6-(hydroxymethyl)-4-methoxy-2-methyloxan-3-ol has a molecular weight of 176.21 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-(hydroxymethyl)-4-methoxy-2-methyloxan-3-ol is sourced from PubChem (CID 129171598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).