(2S,3S,6R)-6-methoxy-3-(methoxymethoxy)-2-methyloxan-4-one

C9H16O5 — CID 91801309

IUPAC(2S,3S,6R)-6-methoxy-3-(methoxymethoxy)-2-methyloxan-4-one
SMILESCOCO[C@@H]1C(=O)C[C@H](OC)O[C@H]1C
InChIInChI=1S/C9H16O5/c1-6-9(13-5-11-2)7(10)4-8(12-3)14-6/h6,8-9H,4-5H2,1-3H3/t6-,8+,9-/m0/s1
InChIKeyZPYWAZKCFPSQKC-ZQARSLAVSA-N
MW204.22 g/mol
LogP0.33
Rot. Bonds4

About (2S,3S,6R)-6-methoxy-3-(methoxymethoxy)-2-methyloxan-4-one

(2S,3S,6R)-6-methoxy-3-(methoxymethoxy)-2-methyloxan-4-one (PubChem CID 91801309) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is (2S,3S,6R)-6-methoxy-3-(methoxymethoxy)-2-methyloxan-4-one.

Molecular Properties

Compound Name(2S,3S,6R)-6-methoxy-3-(methoxymethoxy)-2-methyloxan-4-one
PubChem CID91801309
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name(2S,3S,6R)-6-methoxy-3-(methoxymethoxy)-2-methyloxan-4-one
SMILESCOCO[C@@H]1C(=O)C[C@H](OC)O[C@H]1C
InChIInChI=1S/C9H16O5/c1-6-9(13-5-11-2)7(10)4-8(12-3)14-6/h6,8-9H,4-5H2,1-3H3/t6-,8+,9-/m0/s1
InChIKeyZPYWAZKCFPSQKC-ZQARSLAVSA-N
XLogP0.33
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethoxy-4-(methoxymethoxy)-2,6-dimethyloxane
CID 20816384
3-(methoxymethoxy)-4-methylazetidin-2-one
CID 131993362
2-ethyl-6-methoxyoxan-4-one
CID 130028284
6-methoxy-2-methyloxan-3-one
CID 13011795
(2S,3S,5R)-5-methoxy-2-methyloxolane-3-carbaldehyde
CID 93496295
(2S,3R,4R)-2-methoxy-3,4-dimethylcyclopentan-1-one
CID 130993525
(1S,2S,6R)-2-(methoxymethoxy)-7,7-dimethylbicyclo[4.1.0]heptan-3-one
CID 95565732
(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methoxyoxolan-3-one
CID 101124639
(2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol
CID 12775768
(2R)-6-methoxy-2-methyloxan-3-ol
CID 145387170
2-methoxy-6-propan-2-yloxan-4-one
CID 130030875
5-hydroxy-4-methoxy-6-methyloxan-2-one
CID 18534399

Frequently Asked Questions

What is the IUPAC name of (2S,3S,6R)-6-methoxy-3-(methoxymethoxy)-2-methyloxan-4-one?
The IUPAC name of (2S,3S,6R)-6-methoxy-3-(methoxymethoxy)-2-methyloxan-4-one (CID 91801309) is (2S,3S,6R)-6-methoxy-3-(methoxymethoxy)-2-methyloxan-4-one.
What is the SMILES notation for (2S,3S,6R)-6-methoxy-3-(methoxymethoxy)-2-methyloxan-4-one?
The canonical SMILES for (2S,3S,6R)-6-methoxy-3-(methoxymethoxy)-2-methyloxan-4-one is COCO[C@@H]1C(=O)C[C@H](OC)O[C@H]1C.
What is the InChIKey of (2S,3S,6R)-6-methoxy-3-(methoxymethoxy)-2-methyloxan-4-one?
The InChIKey is ZPYWAZKCFPSQKC-ZQARSLAVSA-N. The full InChI is InChI=1S/C9H16O5/c1-6-9(13-5-11-2)7(10)4-8(12-3)14-6/h6,8-9H,4-5H2,1-3H3/t6-,8+,9-/m0/s1.
What are the key properties of (2S,3S,6R)-6-methoxy-3-(methoxymethoxy)-2-methyloxan-4-one?
(2S,3S,6R)-6-methoxy-3-(methoxymethoxy)-2-methyloxan-4-one has a molecular weight of 204.22 g/mol, XLogP of 0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,6R)-6-methoxy-3-(methoxymethoxy)-2-methyloxan-4-one is sourced from PubChem (CID 91801309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).