ethane;methyl (Z,2R)-2-ethyl-4-hydroxy-4-methoxybut-3-enoate;zinc

C10H19O4Zn- — CID 146163625

IUPACethane;methyl (Z,2R)-2-ethyl-4-hydroxy-4-methoxybut-3-enoate;zinc
SMILESCC[C@H](/C=C(/O)OC)C(=O)OC.[CH2-]C.[Zn]
InChIInChI=1S/C8H14O4.C2H5.Zn/c1-4-6(8(10)12-3)5-7(9)11-2;1-2;/h5-6,9H,4H2,1-3H3;1H2,2H3;/q;-1;/b7-5-;;/t6-;;/m1../s1
InChIKeyDOFZHAOQXAWVOW-JRKMCZESSA-N
MW268.65 g/mol
LogP2.07
Rot. Bonds4

About ethane;methyl (Z,2R)-2-ethyl-4-hydroxy-4-methoxybut-3-enoate;zinc

ethane;methyl (Z,2R)-2-ethyl-4-hydroxy-4-methoxybut-3-enoate;zinc (PubChem CID 146163625) has the molecular formula C10H19O4Zn- and a molecular weight of 268.65 g/mol. Its IUPAC name is ethane;methyl (Z,2R)-2-ethyl-4-hydroxy-4-methoxybut-3-enoate;zinc.

Molecular Properties

Compound Nameethane;methyl (Z,2R)-2-ethyl-4-hydroxy-4-methoxybut-3-enoate;zinc
PubChem CID146163625
Molecular FormulaC10H19O4Zn-
Molecular Weight268.65 g/mol
Exact Mass267.06
IUPAC Nameethane;methyl (Z,2R)-2-ethyl-4-hydroxy-4-methoxybut-3-enoate;zinc
SMILESCC[C@H](/C=C(/O)OC)C(=O)OC.[CH2-]C.[Zn]
InChIInChI=1S/C8H14O4.C2H5.Zn/c1-4-6(8(10)12-3)5-7(9)11-2;1-2;/h5-6,9H,4H2,1-3H3;1H2,2H3;/q;-1;/b7-5-;;/t6-;;/m1../s1
InChIKeyDOFZHAOQXAWVOW-JRKMCZESSA-N
XLogP2.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.65
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 174333241
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CID 23244812
methyl 2-(phenylmethoxycarbonyliminomethyl)butanoate
CID 174419484
2-formylbutanoic acid
CID 13470445
methyl 2-ethyl-3-oxopentanoate;3-oxopentanoic acid
CID 174906211
bis(methyl (2S)-2-aminobutanoate);dihydrochloride
CID 174939060
methyl 2-silylbutanoate
CID 174805276
ethane;methyl (2R)-2-methylbutanoate
CID 143689114
dimethyl (Z)-2-ethyl-3-hydroxy-5-oxohept-3-enedioate
CID 54771871
methyl 2-(2-oxoethyl)but-3-enoate
CID 123768529
methyl 2-[hydroxy(methylamino)methyl]butanoate
CID 90894245

Frequently Asked Questions

What is the IUPAC name of ethane;methyl (Z,2R)-2-ethyl-4-hydroxy-4-methoxybut-3-enoate;zinc?
The IUPAC name of ethane;methyl (Z,2R)-2-ethyl-4-hydroxy-4-methoxybut-3-enoate;zinc (CID 146163625) is ethane;methyl (Z,2R)-2-ethyl-4-hydroxy-4-methoxybut-3-enoate;zinc.
What is the SMILES notation for ethane;methyl (Z,2R)-2-ethyl-4-hydroxy-4-methoxybut-3-enoate;zinc?
The canonical SMILES for ethane;methyl (Z,2R)-2-ethyl-4-hydroxy-4-methoxybut-3-enoate;zinc is CC[C@H](/C=C(/O)OC)C(=O)OC.[CH2-]C.[Zn].
What is the InChIKey of ethane;methyl (Z,2R)-2-ethyl-4-hydroxy-4-methoxybut-3-enoate;zinc?
The InChIKey is DOFZHAOQXAWVOW-JRKMCZESSA-N. The full InChI is InChI=1S/C8H14O4.C2H5.Zn/c1-4-6(8(10)12-3)5-7(9)11-2;1-2;/h5-6,9H,4H2,1-3H3;1H2,2H3;/q;-1;/b7-5-;;/t6-;;/m1../s1.
What are the key properties of ethane;methyl (Z,2R)-2-ethyl-4-hydroxy-4-methoxybut-3-enoate;zinc?
ethane;methyl (Z,2R)-2-ethyl-4-hydroxy-4-methoxybut-3-enoate;zinc has a molecular weight of 268.65 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl (Z,2R)-2-ethyl-4-hydroxy-4-methoxybut-3-enoate;zinc is sourced from PubChem (CID 146163625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).