methyl 2-methyl-3-[(2S)-2-methyl-5-oxooxolan-2-yl]-3-oxopropanoate

C10H14O5 — CID 134973503

IUPACmethyl 2-methyl-3-[(2S)-2-methyl-5-oxooxolan-2-yl]-3-oxopropanoate
SMILESCOC(=O)C(C)C(=O)[C@]1(C)CCC(=O)O1
InChIInChI=1S/C10H14O5/c1-6(9(13)14-3)8(12)10(2)5-4-7(11)15-10/h6H,4-5H2,1-3H3/t6?,10-/m0/s1
InChIKeyPWAHDOHTLOOYPD-TYICEKJOSA-N
MW214.22 g/mol
LogP0.46
Rot. Bonds3

About methyl 2-methyl-3-[(2S)-2-methyl-5-oxooxolan-2-yl]-3-oxopropanoate

methyl 2-methyl-3-[(2S)-2-methyl-5-oxooxolan-2-yl]-3-oxopropanoate (PubChem CID 134973503) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is methyl 2-methyl-3-[(2S)-2-methyl-5-oxooxolan-2-yl]-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[(2S)-2-methyl-5-oxooxolan-2-yl]-3-oxopropanoate
PubChem CID134973503
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Namemethyl 2-methyl-3-[(2S)-2-methyl-5-oxooxolan-2-yl]-3-oxopropanoate
SMILESCOC(=O)C(C)C(=O)[C@]1(C)CCC(=O)O1
InChIInChI=1S/C10H14O5/c1-6(9(13)14-3)8(12)10(2)5-4-7(11)15-10/h6H,4-5H2,1-3H3/t6?,10-/m0/s1
InChIKeyPWAHDOHTLOOYPD-TYICEKJOSA-N
XLogP0.46
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[(2S)-2-methyl-5-oxooxolan-2-yl]-3-oxopropanoate?
The IUPAC name of methyl 2-methyl-3-[(2S)-2-methyl-5-oxooxolan-2-yl]-3-oxopropanoate (CID 134973503) is methyl 2-methyl-3-[(2S)-2-methyl-5-oxooxolan-2-yl]-3-oxopropanoate.
What is the SMILES notation for methyl 2-methyl-3-[(2S)-2-methyl-5-oxooxolan-2-yl]-3-oxopropanoate?
The canonical SMILES for methyl 2-methyl-3-[(2S)-2-methyl-5-oxooxolan-2-yl]-3-oxopropanoate is COC(=O)C(C)C(=O)[C@]1(C)CCC(=O)O1.
What is the InChIKey of methyl 2-methyl-3-[(2S)-2-methyl-5-oxooxolan-2-yl]-3-oxopropanoate?
The InChIKey is PWAHDOHTLOOYPD-TYICEKJOSA-N. The full InChI is InChI=1S/C10H14O5/c1-6(9(13)14-3)8(12)10(2)5-4-7(11)15-10/h6H,4-5H2,1-3H3/t6?,10-/m0/s1.
What are the key properties of methyl 2-methyl-3-[(2S)-2-methyl-5-oxooxolan-2-yl]-3-oxopropanoate?
methyl 2-methyl-3-[(2S)-2-methyl-5-oxooxolan-2-yl]-3-oxopropanoate has a molecular weight of 214.22 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[(2S)-2-methyl-5-oxooxolan-2-yl]-3-oxopropanoate is sourced from PubChem (CID 134973503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).