(2R,3R,4R,5R)-3,4,5-trimethoxy-2-methyloxane

C9H18O4 — CID 6428139

IUPAC(2R,3R,4R,5R)-3,4,5-trimethoxy-2-methyloxane
SMILESCO[C@H]1[C@H](OC)[C@H](OC)CO[C@@H]1C
InChIInChI=1S/C9H18O4/c1-6-8(11-3)9(12-4)7(10-2)5-13-6/h6-9H,5H2,1-4H3/t6-,7-,8-,9-/m1/s1
InChIKeyVOHHBIXLBGOYCN-FNCVBFRFSA-N
MW190.24 g/mol
LogP0.45
Rot. Bonds3

About (2R,3R,4R,5R)-3,4,5-trimethoxy-2-methyloxane

(2R,3R,4R,5R)-3,4,5-trimethoxy-2-methyloxane (PubChem CID 6428139) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is (2R,3R,4R,5R)-3,4,5-trimethoxy-2-methyloxane.

Molecular Properties

Compound Name(2R,3R,4R,5R)-3,4,5-trimethoxy-2-methyloxane
PubChem CID6428139
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name(2R,3R,4R,5R)-3,4,5-trimethoxy-2-methyloxane
SMILESCO[C@H]1[C@H](OC)[C@H](OC)CO[C@@H]1C
InChIInChI=1S/C9H18O4/c1-6-8(11-3)9(12-4)7(10-2)5-13-6/h6-9H,5H2,1-4H3/t6-,7-,8-,9-/m1/s1
InChIKeyVOHHBIXLBGOYCN-FNCVBFRFSA-N
XLogP0.45
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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

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CID 20133112
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1,5-Anhydro-2,3,4,6-tetra-O-methyl-D-mannitol
CID 517804
(2R,3S,4S,5R,6R)-2-fluoro-3,4,5-trimethoxy-6-(methoxymethyl)tetrahydro-2H-pyran
CID 102323120
(3R,4R,5S,6S)-2-fluoro-3,4,5-trimethoxy-6-methyloxane
CID 134895222
[2-(Hexyloxy)ethoxy]cyclohexane
CID 53426952
(2R,3R,4R,5S)-3,4,5-trimethoxy-2-(methoxymethyl)oxane
CID 11074907
(2R,3R,4R,5S,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-methyloxane
CID 14157735
(3,4-Diacetyloxyoxan-2-yl)methyl acetate
CID 57636690
(2S,3S,4S,5R)-3,4,5-trimethoxy-2-methyloxane
CID 60024087
[(3S,4R)-3,4-diacetyloxyoxan-2-yl]methyl acetate
CID 71146240

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-3,4,5-trimethoxy-2-methyloxane?
The IUPAC name of (2R,3R,4R,5R)-3,4,5-trimethoxy-2-methyloxane (CID 6428139) is (2R,3R,4R,5R)-3,4,5-trimethoxy-2-methyloxane.
What is the SMILES notation for (2R,3R,4R,5R)-3,4,5-trimethoxy-2-methyloxane?
The canonical SMILES for (2R,3R,4R,5R)-3,4,5-trimethoxy-2-methyloxane is CO[C@H]1[C@H](OC)[C@H](OC)CO[C@@H]1C.
What is the InChIKey of (2R,3R,4R,5R)-3,4,5-trimethoxy-2-methyloxane?
The InChIKey is VOHHBIXLBGOYCN-FNCVBFRFSA-N. The full InChI is InChI=1S/C9H18O4/c1-6-8(11-3)9(12-4)7(10-2)5-13-6/h6-9H,5H2,1-4H3/t6-,7-,8-,9-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-3,4,5-trimethoxy-2-methyloxane?
(2R,3R,4R,5R)-3,4,5-trimethoxy-2-methyloxane has a molecular weight of 190.24 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-3,4,5-trimethoxy-2-methyloxane is sourced from PubChem (CID 6428139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).