(2S,3R,4R,6R)-4-methoxy-3-(methoxymethyl)-2,4-dimethyl-6-propan-2-yloxan-3-ol

C13H26O4 — CID 59070474

IUPAC(2S,3R,4R,6R)-4-methoxy-3-(methoxymethyl)-2,4-dimethyl-6-propan-2-yloxan-3-ol
SMILESCOC[C@@]1(O)[C@H](C)O[C@@H](C(C)C)C[C@@]1(C)OC
InChIInChI=1S/C13H26O4/c1-9(2)11-7-12(4,16-6)13(14,8-15-5)10(3)17-11/h9-11,14H,7-8H2,1-6H3/t10-,11+,12+,13+/m0/s1
InChIKeyZTNGRXVQMSMYPU-UMSGYPCISA-N
MW246.35 g/mol
LogP1.60
Rot. Bonds4

About (2S,3R,4R,6R)-4-methoxy-3-(methoxymethyl)-2,4-dimethyl-6-propan-2-yloxan-3-ol

(2S,3R,4R,6R)-4-methoxy-3-(methoxymethyl)-2,4-dimethyl-6-propan-2-yloxan-3-ol (PubChem CID 59070474) has the molecular formula C13H26O4 and a molecular weight of 246.35 g/mol. Its IUPAC name is (2S,3R,4R,6R)-4-methoxy-3-(methoxymethyl)-2,4-dimethyl-6-propan-2-yloxan-3-ol.

Molecular Properties

Compound Name(2S,3R,4R,6R)-4-methoxy-3-(methoxymethyl)-2,4-dimethyl-6-propan-2-yloxan-3-ol
PubChem CID59070474
Molecular FormulaC13H26O4
Molecular Weight246.35 g/mol
Exact Mass246.18
IUPAC Name(2S,3R,4R,6R)-4-methoxy-3-(methoxymethyl)-2,4-dimethyl-6-propan-2-yloxan-3-ol
SMILESCOC[C@@]1(O)[C@H](C)O[C@@H](C(C)C)C[C@@]1(C)OC
InChIInChI=1S/C13H26O4/c1-9(2)11-7-12(4,16-6)13(14,8-15-5)10(3)17-11/h9-11,14H,7-8H2,1-6H3/t10-,11+,12+,13+/m0/s1
InChIKeyZTNGRXVQMSMYPU-UMSGYPCISA-N
XLogP1.60
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,3R,4R,6R)-4-methoxy-3-(methoxymethyl)-2,4-dimethyl-6-propan-2-yloxan-3-ol with MolForge

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Related Compounds

4-methoxy-4,8-dimethyl-6-propan-2-yl-1,7-dioxaspiro[2.5]octane
CID 21349615
1-[(2R,3R,5R)-2,3-dimethyl-5-propan-2-yloxolan-3-yl]ethanone
CID 102572284
4,6-dimethoxy-2,4-dimethyl-3-phosphanyloxan-3-ol
CID 143759548
1-(methoxymethyl)-1-methyl-3-propan-2-ylcyclopentane
CID 141214985
2,5-dimethyl-3-(propan-2-yloxymethyl)oxolan-3-ol
CID 127015507
3-(methoxymethyl)-2-methyloxolan-3-ol
CID 82719325
3-(methoxymethyl)oxetan-3-ol
CID 105427130
3,3-bis(methoxymethyl)-6-oxabicyclo[3.1.0]hexane
CID 146049054
3,4-dimethyl-1-propan-2-yloxy-2-oxabicyclo[4.1.0]heptane-4,7-diol
CID 163975301
1-(methoxymethyl)-1,3,3,5-tetramethylcyclohexane
CID 20692115
4-(ethoxymethyl)-2-propan-2-yloxan-4-ol
CID 79567400
2-methoxy-2-(methoxymethyl)oxirane
CID 172789195

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,6R)-4-methoxy-3-(methoxymethyl)-2,4-dimethyl-6-propan-2-yloxan-3-ol?
The IUPAC name of (2S,3R,4R,6R)-4-methoxy-3-(methoxymethyl)-2,4-dimethyl-6-propan-2-yloxan-3-ol (CID 59070474) is (2S,3R,4R,6R)-4-methoxy-3-(methoxymethyl)-2,4-dimethyl-6-propan-2-yloxan-3-ol.
What is the SMILES notation for (2S,3R,4R,6R)-4-methoxy-3-(methoxymethyl)-2,4-dimethyl-6-propan-2-yloxan-3-ol?
The canonical SMILES for (2S,3R,4R,6R)-4-methoxy-3-(methoxymethyl)-2,4-dimethyl-6-propan-2-yloxan-3-ol is COC[C@@]1(O)[C@H](C)O[C@@H](C(C)C)C[C@@]1(C)OC.
What is the InChIKey of (2S,3R,4R,6R)-4-methoxy-3-(methoxymethyl)-2,4-dimethyl-6-propan-2-yloxan-3-ol?
The InChIKey is ZTNGRXVQMSMYPU-UMSGYPCISA-N. The full InChI is InChI=1S/C13H26O4/c1-9(2)11-7-12(4,16-6)13(14,8-15-5)10(3)17-11/h9-11,14H,7-8H2,1-6H3/t10-,11+,12+,13+/m0/s1.
What are the key properties of (2S,3R,4R,6R)-4-methoxy-3-(methoxymethyl)-2,4-dimethyl-6-propan-2-yloxan-3-ol?
(2S,3R,4R,6R)-4-methoxy-3-(methoxymethyl)-2,4-dimethyl-6-propan-2-yloxan-3-ol has a molecular weight of 246.35 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,6R)-4-methoxy-3-(methoxymethyl)-2,4-dimethyl-6-propan-2-yloxan-3-ol is sourced from PubChem (CID 59070474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).