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

C8H14O4 — CID 130909521

IUPAC(2R,4S,6S)-4,6-dimethoxy-2-methyloxan-3-one
SMILESCO[C@@H]1C[C@H](OC)C(=O)[C@@H](C)O1
InChIInChI=1S/C8H14O4/c1-5-8(9)6(10-2)4-7(11-3)12-5/h5-7H,4H2,1-3H3/t5-,6+,7+/m1/s1
InChIKeyLSRKMLGZLHFVEM-VQVTYTSYSA-N
MW174.20 g/mol
LogP0.35
Rot. Bonds2

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

(2R,4S,6S)-4,6-dimethoxy-2-methyloxan-3-one (PubChem CID 130909521) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is (2R,4S,6S)-4,6-dimethoxy-2-methyloxan-3-one.

Molecular Properties

Compound Name(2R,4S,6S)-4,6-dimethoxy-2-methyloxan-3-one
PubChem CID130909521
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name(2R,4S,6S)-4,6-dimethoxy-2-methyloxan-3-one
SMILESCO[C@@H]1C[C@H](OC)C(=O)[C@@H](C)O1
InChIInChI=1S/C8H14O4/c1-5-8(9)6(10-2)4-7(11-3)12-5/h5-7H,4H2,1-3H3/t5-,6+,7+/m1/s1
InChIKeyLSRKMLGZLHFVEM-VQVTYTSYSA-N
XLogP0.35
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(2R,4R)-2-methoxy-4-methylcyclobutan-1-one
CID 102057332
6-methoxy-2-methyloxan-3-one
CID 13011795
(2S,3S,5R)-5-methoxy-2-methyloxolane-3-carbaldehyde
CID 93496295
(2S,4R,6R)-4-hydroxy-6-methoxy-2,4-dimethyloxan-3-one
CID 143150247
(2R,4S,5R,6S)-4,5,6-trimethoxy-2-methyloxan-3-one
CID 70005413
5-methoxy-2-methyloxolan-3-amine
CID 163994899
(5R)-2-methoxy-5-methyloxolane
CID 70228275
2-ethyl-6-methoxyoxan-4-one
CID 130028284
4-[(2S,6R)-2,6-dimethoxyoxan-4-yl]-2H-furan-5-one
CID 162885464
(3aS,6aR,9aS,9bS)-2-methoxy-2,3,3a,4,5,6a,7,8,9a,9b-decahydroazuleno[8,7-b]furan-6,9-dione
CID 162406239
(1R,2S,4R,6S)-4-methoxy-2-methyl-3,7-dioxabicyclo[4.1.0]heptane
CID 131885979
(2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol
CID 12775768

Frequently Asked Questions

What is the IUPAC name of (2R,4S,6S)-4,6-dimethoxy-2-methyloxan-3-one?
The IUPAC name of (2R,4S,6S)-4,6-dimethoxy-2-methyloxan-3-one (CID 130909521) is (2R,4S,6S)-4,6-dimethoxy-2-methyloxan-3-one.
What is the SMILES notation for (2R,4S,6S)-4,6-dimethoxy-2-methyloxan-3-one?
The canonical SMILES for (2R,4S,6S)-4,6-dimethoxy-2-methyloxan-3-one is CO[C@@H]1C[C@H](OC)C(=O)[C@@H](C)O1.
What is the InChIKey of (2R,4S,6S)-4,6-dimethoxy-2-methyloxan-3-one?
The InChIKey is LSRKMLGZLHFVEM-VQVTYTSYSA-N. The full InChI is InChI=1S/C8H14O4/c1-5-8(9)6(10-2)4-7(11-3)12-5/h5-7H,4H2,1-3H3/t5-,6+,7+/m1/s1.
What are the key properties of (2R,4S,6S)-4,6-dimethoxy-2-methyloxan-3-one?
(2R,4S,6S)-4,6-dimethoxy-2-methyloxan-3-one has a molecular weight of 174.20 g/mol, XLogP of 0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,6S)-4,6-dimethoxy-2-methyloxan-3-one is sourced from PubChem (CID 130909521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).