methyl (E)-but-2-enoate;methyl 2,3-dihydroxybutanoate

C10H18O6 — CID 54293894

IUPACmethyl (E)-but-2-enoate;methyl 2,3-dihydroxybutanoate
SMILESC/C=C/C(=O)OC.COC(=O)C(O)C(C)O
InChIInChI=1S/C5H10O4.C5H8O2/c1-3(6)4(7)5(8)9-2;1-3-4-5(6)7-2/h3-4,6-7H,1-2H3;3-4H,1-2H3/b;4-3+
InChIKeyRZLALTRFPUWZQA-SCBDLNNBSA-N
MW234.25 g/mol
LogP-0.36
Rot. Bonds3

About methyl (E)-but-2-enoate;methyl 2,3-dihydroxybutanoate

methyl (E)-but-2-enoate;methyl 2,3-dihydroxybutanoate (PubChem CID 54293894) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is methyl (E)-but-2-enoate;methyl 2,3-dihydroxybutanoate.

Molecular Properties

Compound Namemethyl (E)-but-2-enoate;methyl 2,3-dihydroxybutanoate
PubChem CID54293894
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Namemethyl (E)-but-2-enoate;methyl 2,3-dihydroxybutanoate
SMILESC/C=C/C(=O)OC.COC(=O)C(O)C(C)O
InChIInChI=1S/C5H10O4.C5H8O2/c1-3(6)4(7)5(8)9-2;1-3-4-5(6)7-2/h3-4,6-7H,1-2H3;3-4H,1-2H3/b;4-3+
InChIKeyRZLALTRFPUWZQA-SCBDLNNBSA-N
XLogP-0.36
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-but-2-enoate;methyl 2,3-dihydroxybutanoate?
The IUPAC name of methyl (E)-but-2-enoate;methyl 2,3-dihydroxybutanoate (CID 54293894) is methyl (E)-but-2-enoate;methyl 2,3-dihydroxybutanoate.
What is the SMILES notation for methyl (E)-but-2-enoate;methyl 2,3-dihydroxybutanoate?
The canonical SMILES for methyl (E)-but-2-enoate;methyl 2,3-dihydroxybutanoate is C/C=C/C(=O)OC.COC(=O)C(O)C(C)O.
What is the InChIKey of methyl (E)-but-2-enoate;methyl 2,3-dihydroxybutanoate?
The InChIKey is RZLALTRFPUWZQA-SCBDLNNBSA-N. The full InChI is InChI=1S/C5H10O4.C5H8O2/c1-3(6)4(7)5(8)9-2;1-3-4-5(6)7-2/h3-4,6-7H,1-2H3;3-4H,1-2H3/b;4-3+.
What are the key properties of methyl (E)-but-2-enoate;methyl 2,3-dihydroxybutanoate?
methyl (E)-but-2-enoate;methyl 2,3-dihydroxybutanoate has a molecular weight of 234.25 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-but-2-enoate;methyl 2,3-dihydroxybutanoate is sourced from PubChem (CID 54293894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).