6-[(2R,3S)-3-hydroxybutan-2-yl]-4-methoxypyran-2-one

C10H14O4 — CID 163003585

IUPAC6-[(2R,3S)-3-hydroxybutan-2-yl]-4-methoxypyran-2-one
SMILESCOc1cc([C@H](C)[C@H](C)O)oc(=O)c1
InChIInChI=1S/C10H14O4/c1-6(7(2)11)9-4-8(13-3)5-10(12)14-9/h4-7,11H,1-3H3/t6-,7+/m1/s1
InChIKeyYHUYXKZLGRZKAJ-RQJHMYQMSA-N
MW198.22 g/mol
LogP1.13
Rot. Bonds3

About 6-[(2R,3S)-3-hydroxybutan-2-yl]-4-methoxypyran-2-one

6-[(2R,3S)-3-hydroxybutan-2-yl]-4-methoxypyran-2-one (PubChem CID 163003585) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 6-[(2R,3S)-3-hydroxybutan-2-yl]-4-methoxypyran-2-one.

Molecular Properties

Compound Name6-[(2R,3S)-3-hydroxybutan-2-yl]-4-methoxypyran-2-one
PubChem CID163003585
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name6-[(2R,3S)-3-hydroxybutan-2-yl]-4-methoxypyran-2-one
SMILESCOc1cc([C@H](C)[C@H](C)O)oc(=O)c1
InChIInChI=1S/C10H14O4/c1-6(7(2)11)9-4-8(13-3)5-10(12)14-9/h4-7,11H,1-3H3/t6-,7+/m1/s1
InChIKeyYHUYXKZLGRZKAJ-RQJHMYQMSA-N
XLogP1.13
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-(4-methoxy-3-methyl-6-oxo-2,3-dihydropyran-2-yl)prop-2-enoic acid
CID 44566950
(2E,4E)-5-(4-methoxy-3-methyl-6-oxo-2,3-dihydropyran-2-yl)penta-2,4-dienoic acid
CID 44566949
Chlamydospordiol
CID 190904
2H-Pyran-2-one, 5-(hydroxymethyl)-4-methoxy-6-propyl-
CID 10352700
ACRL Toxin II
CID 131751033
Inflatin C
CID 53493987
Cladobotrin VI
CID 10059573
Chlamydosporol
CID 53319537
(2S,3S)-2-[(1E,3Z,5R)-3-ethyl-7-hydroxy-5-methylhepta-1,3-dienyl]-3-methyl-2,3-dihydropyran-6-one
CID 44327218
5-Deoxy-7-hyrdoxypyrenocine M
CID 134150679
Pyrenocine C
CID 6439921
Cladobotrin IV
CID 9990689

Frequently Asked Questions

What is the IUPAC name of 6-[(2R,3S)-3-hydroxybutan-2-yl]-4-methoxypyran-2-one?
The IUPAC name of 6-[(2R,3S)-3-hydroxybutan-2-yl]-4-methoxypyran-2-one (CID 163003585) is 6-[(2R,3S)-3-hydroxybutan-2-yl]-4-methoxypyran-2-one.
What is the SMILES notation for 6-[(2R,3S)-3-hydroxybutan-2-yl]-4-methoxypyran-2-one?
The canonical SMILES for 6-[(2R,3S)-3-hydroxybutan-2-yl]-4-methoxypyran-2-one is COc1cc([C@H](C)[C@H](C)O)oc(=O)c1.
What is the InChIKey of 6-[(2R,3S)-3-hydroxybutan-2-yl]-4-methoxypyran-2-one?
The InChIKey is YHUYXKZLGRZKAJ-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H14O4/c1-6(7(2)11)9-4-8(13-3)5-10(12)14-9/h4-7,11H,1-3H3/t6-,7+/m1/s1.
What are the key properties of 6-[(2R,3S)-3-hydroxybutan-2-yl]-4-methoxypyran-2-one?
6-[(2R,3S)-3-hydroxybutan-2-yl]-4-methoxypyran-2-one has a molecular weight of 198.22 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,3S)-3-hydroxybutan-2-yl]-4-methoxypyran-2-one is sourced from PubChem (CID 163003585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).