methyl 4-[(2R)-4-oxo-2,3-dihydropyran-2-yl]butanoate

C10H14O4 — CID 11550178

IUPACmethyl 4-[(2R)-4-oxo-2,3-dihydropyran-2-yl]butanoate
SMILESCOC(=O)CCC[C@@H]1CC(=O)C=CO1
InChIInChI=1S/C10H14O4/c1-13-10(12)4-2-3-9-7-8(11)5-6-14-9/h5-6,9H,2-4,7H2,1H3/t9-/m1/s1
InChIKeyJALXHZMXGJIWCF-SECBINFHSA-N
MW198.22 g/mol
LogP1.20
Rot. Bonds4

About methyl 4-[(2R)-4-oxo-2,3-dihydropyran-2-yl]butanoate

methyl 4-[(2R)-4-oxo-2,3-dihydropyran-2-yl]butanoate (PubChem CID 11550178) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is methyl 4-[(2R)-4-oxo-2,3-dihydropyran-2-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-[(2R)-4-oxo-2,3-dihydropyran-2-yl]butanoate
PubChem CID11550178
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Namemethyl 4-[(2R)-4-oxo-2,3-dihydropyran-2-yl]butanoate
SMILESCOC(=O)CCC[C@@H]1CC(=O)C=CO1
InChIInChI=1S/C10H14O4/c1-13-10(12)4-2-3-9-7-8(11)5-6-14-9/h5-6,9H,2-4,7H2,1H3/t9-/m1/s1
InChIKeyJALXHZMXGJIWCF-SECBINFHSA-N
XLogP1.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-heptyl-2,3-dihydropyran-4-one
CID 57164485
methyl 6-(oxiran-2-yl)hexanoate
CID 71401806
methyl 11-(4-methylidene-5-oxooxolan-2-yl)undecanoate
CID 11150628
methyl 4-(6-heptadecyloxan-2-yl)butanoate
CID 543638
methyl 4-(4-hydroxy-5-prop-2-enyloxolan-2-yl)butanoate
CID 123664264
methyl 11-[(2S,5S)-5-propyloxolan-2-yl]undecanoate
CID 71389588
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl pentanedioate;hydrochloride
CID 175168861
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl dotriacontanedioate
CID 14325565
dimethyl hexanedioate;stannane
CID 173290076
dimethyl tricosanedioate
CID 12632762

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2R)-4-oxo-2,3-dihydropyran-2-yl]butanoate?
The IUPAC name of methyl 4-[(2R)-4-oxo-2,3-dihydropyran-2-yl]butanoate (CID 11550178) is methyl 4-[(2R)-4-oxo-2,3-dihydropyran-2-yl]butanoate.
What is the SMILES notation for methyl 4-[(2R)-4-oxo-2,3-dihydropyran-2-yl]butanoate?
The canonical SMILES for methyl 4-[(2R)-4-oxo-2,3-dihydropyran-2-yl]butanoate is COC(=O)CCC[C@@H]1CC(=O)C=CO1.
What is the InChIKey of methyl 4-[(2R)-4-oxo-2,3-dihydropyran-2-yl]butanoate?
The InChIKey is JALXHZMXGJIWCF-SECBINFHSA-N. The full InChI is InChI=1S/C10H14O4/c1-13-10(12)4-2-3-9-7-8(11)5-6-14-9/h5-6,9H,2-4,7H2,1H3/t9-/m1/s1.
What are the key properties of methyl 4-[(2R)-4-oxo-2,3-dihydropyran-2-yl]butanoate?
methyl 4-[(2R)-4-oxo-2,3-dihydropyran-2-yl]butanoate has a molecular weight of 198.22 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2R)-4-oxo-2,3-dihydropyran-2-yl]butanoate is sourced from PubChem (CID 11550178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).