6-[(2R)-2-hydroxybut-3-en-2-yl]-4-methoxy-3-methylpyran-2-one

C11H14O4 — CID 170988891

IUPAC6-[(2R)-2-hydroxybut-3-en-2-yl]-4-methoxy-3-methylpyran-2-one
SMILESC=C[C@@](C)(O)c1cc(OC)c(C)c(=O)o1
InChIInChI=1S/C11H14O4/c1-5-11(3,13)9-6-8(14-4)7(2)10(12)15-9/h5-6,13H,1H2,2-4H3/t11-/m1/s1
InChIKeyKNZRLHRBSGUXAB-LLVKDONJSA-N
MW210.23 g/mol
LogP1.35
Rot. Bonds3

About 6-[(2R)-2-hydroxybut-3-en-2-yl]-4-methoxy-3-methylpyran-2-one

6-[(2R)-2-hydroxybut-3-en-2-yl]-4-methoxy-3-methylpyran-2-one (PubChem CID 170988891) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 6-[(2R)-2-hydroxybut-3-en-2-yl]-4-methoxy-3-methylpyran-2-one.

Molecular Properties

Compound Name6-[(2R)-2-hydroxybut-3-en-2-yl]-4-methoxy-3-methylpyran-2-one
PubChem CID170988891
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name6-[(2R)-2-hydroxybut-3-en-2-yl]-4-methoxy-3-methylpyran-2-one
SMILESC=C[C@@](C)(O)c1cc(OC)c(C)c(=O)o1
InChIInChI=1S/C11H14O4/c1-5-11(3,13)9-6-8(14-4)7(2)10(12)15-9/h5-6,13H,1H2,2-4H3/t11-/m1/s1
InChIKeyKNZRLHRBSGUXAB-LLVKDONJSA-N
XLogP1.35
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Cladobotrin VI
CID 10059573
Alcanivorone
CID 10353048
Xanthofusin
CID 54697199
Pyrenocine R
CID 134143541
Cladobotrin IV
CID 9990689
Herbarin B
CID 11042017
Herbarin A
CID 11042715
Infectopyrone
CID 11043633
4Z-Infectopyrone
CID 101379192
3-(4-Methoxy-3-methyl-6-oxopyran-2-yl)prop-2-enoic acid
CID 85377595
5-(4-Methoxy-3-methyl-6-oxopyran-2-yl)penta-2,4-dienoic acid
CID 85377777
(E)-3-(4-methoxy-3,5-dimethyl-6-oxopyran-2-yl)prop-2-enoic acid
CID 14077393

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-hydroxybut-3-en-2-yl]-4-methoxy-3-methylpyran-2-one?
The IUPAC name of 6-[(2R)-2-hydroxybut-3-en-2-yl]-4-methoxy-3-methylpyran-2-one (CID 170988891) is 6-[(2R)-2-hydroxybut-3-en-2-yl]-4-methoxy-3-methylpyran-2-one.
What is the SMILES notation for 6-[(2R)-2-hydroxybut-3-en-2-yl]-4-methoxy-3-methylpyran-2-one?
The canonical SMILES for 6-[(2R)-2-hydroxybut-3-en-2-yl]-4-methoxy-3-methylpyran-2-one is C=C[C@@](C)(O)c1cc(OC)c(C)c(=O)o1.
What is the InChIKey of 6-[(2R)-2-hydroxybut-3-en-2-yl]-4-methoxy-3-methylpyran-2-one?
The InChIKey is KNZRLHRBSGUXAB-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14O4/c1-5-11(3,13)9-6-8(14-4)7(2)10(12)15-9/h5-6,13H,1H2,2-4H3/t11-/m1/s1.
What are the key properties of 6-[(2R)-2-hydroxybut-3-en-2-yl]-4-methoxy-3-methylpyran-2-one?
6-[(2R)-2-hydroxybut-3-en-2-yl]-4-methoxy-3-methylpyran-2-one has a molecular weight of 210.23 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-hydroxybut-3-en-2-yl]-4-methoxy-3-methylpyran-2-one is sourced from PubChem (CID 170988891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).