(2R,3R,4S)-3-methoxy-2-(methoxymethyl)-6-methyloxan-4-ol

C9H18O4 — CID 174116775

IUPAC(2R,3R,4S)-3-methoxy-2-(methoxymethyl)-6-methyloxan-4-ol
SMILESCOC[C@H]1OC(C)C[C@H](O)[C@H]1OC
InChIInChI=1S/C9H18O4/c1-6-4-7(10)9(12-3)8(13-6)5-11-2/h6-10H,4-5H2,1-3H3/t6?,7-,8+,9+/m0/s1
InChIKeyIHYJUFCRFVHDOK-GSLILNRNSA-N
MW190.24 g/mol
LogP0.19
Rot. Bonds3

About (2R,3R,4S)-3-methoxy-2-(methoxymethyl)-6-methyloxan-4-ol

(2R,3R,4S)-3-methoxy-2-(methoxymethyl)-6-methyloxan-4-ol (PubChem CID 174116775) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is (2R,3R,4S)-3-methoxy-2-(methoxymethyl)-6-methyloxan-4-ol.

Molecular Properties

Compound Name(2R,3R,4S)-3-methoxy-2-(methoxymethyl)-6-methyloxan-4-ol
PubChem CID174116775
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name(2R,3R,4S)-3-methoxy-2-(methoxymethyl)-6-methyloxan-4-ol
SMILESCOC[C@H]1OC(C)C[C@H](O)[C@H]1OC
InChIInChI=1S/C9H18O4/c1-6-4-7(10)9(12-3)8(13-6)5-11-2/h6-10H,4-5H2,1-3H3/t6?,7-,8+,9+/m0/s1
InChIKeyIHYJUFCRFVHDOK-GSLILNRNSA-N
XLogP0.19
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S,4R,6R)-2,3-dimethoxy-6-methyloxan-4-ol
CID 10866852
(2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 59795765
(2R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 88979913
(2R,3S,4S,5R,6S)-5-methoxy-6-(methoxymethyl)oxane-2,3,4-triol
CID 125028190
(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol
CID 12903171
(2S,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol
CID 12903172
(2R,3S,5S)-5-methoxy-2-(methoxymethyl)oxolan-3-ol
CID 130763870
(2R,3S,5R)-5-methoxy-2-(methoxymethyl)oxolan-3-ol
CID 130763871
(2R,4R,5R)-3,4-dimethoxy-2-(methoxymethyl)-5-methyloxolane
CID 174068913
(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol;hydrobromide
CID 175363710
CID 161264357
CID 161264357
(2R,3S)-2-ethyl-5-methyloxolan-3-ol
CID 174181244

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-3-methoxy-2-(methoxymethyl)-6-methyloxan-4-ol?
The IUPAC name of (2R,3R,4S)-3-methoxy-2-(methoxymethyl)-6-methyloxan-4-ol (CID 174116775) is (2R,3R,4S)-3-methoxy-2-(methoxymethyl)-6-methyloxan-4-ol.
What is the SMILES notation for (2R,3R,4S)-3-methoxy-2-(methoxymethyl)-6-methyloxan-4-ol?
The canonical SMILES for (2R,3R,4S)-3-methoxy-2-(methoxymethyl)-6-methyloxan-4-ol is COC[C@H]1OC(C)C[C@H](O)[C@H]1OC.
What is the InChIKey of (2R,3R,4S)-3-methoxy-2-(methoxymethyl)-6-methyloxan-4-ol?
The InChIKey is IHYJUFCRFVHDOK-GSLILNRNSA-N. The full InChI is InChI=1S/C9H18O4/c1-6-4-7(10)9(12-3)8(13-6)5-11-2/h6-10H,4-5H2,1-3H3/t6?,7-,8+,9+/m0/s1.
What are the key properties of (2R,3R,4S)-3-methoxy-2-(methoxymethyl)-6-methyloxan-4-ol?
(2R,3R,4S)-3-methoxy-2-(methoxymethyl)-6-methyloxan-4-ol has a molecular weight of 190.24 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-3-methoxy-2-(methoxymethyl)-6-methyloxan-4-ol is sourced from PubChem (CID 174116775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).