(3S)-4,5-dimethoxy-2,3-dimethyloxane

C9H18O3 — CID 59932067

IUPAC(3S)-4,5-dimethoxy-2,3-dimethyloxane
SMILESCOC1COC(C)[C@H](C)C1OC
InChIInChI=1S/C9H18O3/c1-6-7(2)12-5-8(10-3)9(6)11-4/h6-9H,5H2,1-4H3/t6-,7?,8?,9?/m0/s1
InChIKeyGETIIIJPXGVRGH-JUGFDQIVSA-N
MW174.24 g/mol
LogP1.07
Rot. Bonds2

About (3S)-4,5-dimethoxy-2,3-dimethyloxane

(3S)-4,5-dimethoxy-2,3-dimethyloxane (PubChem CID 59932067) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is (3S)-4,5-dimethoxy-2,3-dimethyloxane.

Molecular Properties

Compound Name(3S)-4,5-dimethoxy-2,3-dimethyloxane
PubChem CID59932067
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name(3S)-4,5-dimethoxy-2,3-dimethyloxane
SMILESCOC1COC(C)[C@H](C)C1OC
InChIInChI=1S/C9H18O3/c1-6-7(2)12-5-8(10-3)9(6)11-4/h6-9H,5H2,1-4H3/t6-,7?,8?,9?/m0/s1
InChIKeyGETIIIJPXGVRGH-JUGFDQIVSA-N
XLogP1.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethylhexyl glycidyl ether
CID 17162
(2R,3S,4S,5R)-4-(2-fluoroethoxy)-5-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)oxane
CID 58061995
(4S,5R)-2-fluoro-6-(methoxymethyl)-3,4,5-trimethyloxane
CID 58241360
(3R,4S)-2-(ethoxymethyl)-6-fluoro-3,4,5-trimethyloxane
CID 58241375
(4S,5R)-2-fluoro-3,4,5-trimethyl-6-(propoxymethyl)oxane
CID 58241383
(2R,3R,4S,5R)-4-fluoro-5-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)oxane
CID 60138928
(2R,4S,5R)-4-fluoro-5-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)oxane
CID 60138954
(2R,3R,4S,5R)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxane
CID 67501840
4-Fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxane
CID 77304266
(2R,3R,4S,5R)-4-fluoro-5-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(propan-2-yloxymethyl)oxane
CID 89707817
3-Ethoxy-4-fluoro-2-(methoxymethyl)-5-methyloxane
CID 90768889
(2R,4S,5S,6S)-2-fluoro-4-methoxy-2,5,6-trimethyloxane
CID 144251762

Frequently Asked Questions

What is the IUPAC name of (3S)-4,5-dimethoxy-2,3-dimethyloxane?
The IUPAC name of (3S)-4,5-dimethoxy-2,3-dimethyloxane (CID 59932067) is (3S)-4,5-dimethoxy-2,3-dimethyloxane.
What is the SMILES notation for (3S)-4,5-dimethoxy-2,3-dimethyloxane?
The canonical SMILES for (3S)-4,5-dimethoxy-2,3-dimethyloxane is COC1COC(C)[C@H](C)C1OC.
What is the InChIKey of (3S)-4,5-dimethoxy-2,3-dimethyloxane?
The InChIKey is GETIIIJPXGVRGH-JUGFDQIVSA-N. The full InChI is InChI=1S/C9H18O3/c1-6-7(2)12-5-8(10-3)9(6)11-4/h6-9H,5H2,1-4H3/t6-,7?,8?,9?/m0/s1.
What are the key properties of (3S)-4,5-dimethoxy-2,3-dimethyloxane?
(3S)-4,5-dimethoxy-2,3-dimethyloxane has a molecular weight of 174.24 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4,5-dimethoxy-2,3-dimethyloxane is sourced from PubChem (CID 59932067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).