(2R,4R,5R)-3,4-dimethoxy-2-(methoxymethyl)-5-methyloxolane

C9H18O4 — CID 174068913

IUPAC(2R,4R,5R)-3,4-dimethoxy-2-(methoxymethyl)-5-methyloxolane
SMILESCOC[C@H]1O[C@H](C)[C@@H](OC)C1OC
InChIInChI=1S/C9H18O4/c1-6-8(11-3)9(12-4)7(13-6)5-10-2/h6-9H,5H2,1-4H3/t6-,7-,8-,9?/m1/s1
InChIKeyNFISBRGAWBVKCY-BYBOBHAWSA-N
MW190.24 g/mol
LogP0.45
Rot. Bonds4

About (2R,4R,5R)-3,4-dimethoxy-2-(methoxymethyl)-5-methyloxolane

(2R,4R,5R)-3,4-dimethoxy-2-(methoxymethyl)-5-methyloxolane (PubChem CID 174068913) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is (2R,4R,5R)-3,4-dimethoxy-2-(methoxymethyl)-5-methyloxolane.

Molecular Properties

Compound Name(2R,4R,5R)-3,4-dimethoxy-2-(methoxymethyl)-5-methyloxolane
PubChem CID174068913
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name(2R,4R,5R)-3,4-dimethoxy-2-(methoxymethyl)-5-methyloxolane
SMILESCOC[C@H]1O[C@H](C)[C@@H](OC)C1OC
InChIInChI=1S/C9H18O4/c1-6-8(11-3)9(12-4)7(13-6)5-10-2/h6-9H,5H2,1-4H3/t6-,7-,8-,9?/m1/s1
InChIKeyNFISBRGAWBVKCY-BYBOBHAWSA-N
XLogP0.45
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethenoxy-4-methoxy-2-(methoxymethyl)-5-methyloxolane
CID 139492004
(3R,5S,6S)-3-methoxy-2-(methoxymethyl)-4,5,6-trimethyloxane
CID 71166951
2-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxyethanamine
CID 130187739
hydroxy-methoxy-[(2R,4R,5S)-4-methoxy-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-sulfanylidene-λ5-phosphane
CID 88878251
(3R)-4,5-dimethoxy-2-(methoxymethyl)-3-[(2S,5R)-6-(methoxymethyl)-5-methyloxan-2-yl]oxy-6-methyloxane
CID 59871063
2-[2-hydroxyethoxy-[(2S,4S,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxymethoxy]ethanol
CID 59076217
CID 20741832
CID 20741832
(2R,3R,4S,5S,6R)-2,3,4,5-tetramethoxy-6-(methoxymethyl)oxane
CID 12900878
(2S,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol
CID 12903172
3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 91701485
(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol
CID 12903171
CID 58351935
CID 58351935

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R)-3,4-dimethoxy-2-(methoxymethyl)-5-methyloxolane?
The IUPAC name of (2R,4R,5R)-3,4-dimethoxy-2-(methoxymethyl)-5-methyloxolane (CID 174068913) is (2R,4R,5R)-3,4-dimethoxy-2-(methoxymethyl)-5-methyloxolane.
What is the SMILES notation for (2R,4R,5R)-3,4-dimethoxy-2-(methoxymethyl)-5-methyloxolane?
The canonical SMILES for (2R,4R,5R)-3,4-dimethoxy-2-(methoxymethyl)-5-methyloxolane is COC[C@H]1O[C@H](C)[C@@H](OC)C1OC.
What is the InChIKey of (2R,4R,5R)-3,4-dimethoxy-2-(methoxymethyl)-5-methyloxolane?
The InChIKey is NFISBRGAWBVKCY-BYBOBHAWSA-N. The full InChI is InChI=1S/C9H18O4/c1-6-8(11-3)9(12-4)7(13-6)5-10-2/h6-9H,5H2,1-4H3/t6-,7-,8-,9?/m1/s1.
What are the key properties of (2R,4R,5R)-3,4-dimethoxy-2-(methoxymethyl)-5-methyloxolane?
(2R,4R,5R)-3,4-dimethoxy-2-(methoxymethyl)-5-methyloxolane has a molecular weight of 190.24 g/mol, XLogP of 0.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R)-3,4-dimethoxy-2-(methoxymethyl)-5-methyloxolane is sourced from PubChem (CID 174068913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).