diethyl (Z)-3-ethoxypent-2-enedioate

C11H18O5 — CID 6371549

IUPACdiethyl (Z)-3-ethoxypent-2-enedioate
SMILESCCOC(=O)/C=C(/CC(=O)OCC)OCC
InChIInChI=1S/C11H18O5/c1-4-14-9(7-10(12)15-5-2)8-11(13)16-6-3/h7H,4-6,8H2,1-3H3/b9-7-
InChIKeyZMIVGRRLOZXCMK-CLFYSBASSA-N
MW230.26 g/mol
LogP1.42
Rot. Bonds7

About diethyl (Z)-3-ethoxypent-2-enedioate

diethyl (Z)-3-ethoxypent-2-enedioate (PubChem CID 6371549) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is diethyl (Z)-3-ethoxypent-2-enedioate.

Molecular Properties

Compound Namediethyl (Z)-3-ethoxypent-2-enedioate
PubChem CID6371549
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Namediethyl (Z)-3-ethoxypent-2-enedioate
SMILESCCOC(=O)/C=C(/CC(=O)OCC)OCC
InChIInChI=1S/C11H18O5/c1-4-14-9(7-10(12)15-5-2)8-11(13)16-6-3/h7H,4-6,8H2,1-3H3/b9-7-
InChIKeyZMIVGRRLOZXCMK-CLFYSBASSA-N
XLogP1.42
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5,6-Dihydro-4-methoxy-2H-pyran-2-one
CID 15086343
2-Pentenedioic acid, 3-methoxy-, dimethyl ester
CID 5373535
2,6-dioxo-3,6-dihydro-2H-pyran-4-yl acetate
CID 12439072
ethyl 4-methyl-2-oxo-2H-pyran-6-acetate
CID 21149526
2H-Pyran-5-carboxylic acid, 4-methoxy-6-methyl-2-oxo-, methyl ester
CID 540084
ethyl (Z)-3-methoxy-5-oxopent-3-enoate
CID 134923087
Dimethyl 3-methoxypent-2-enedioate
CID 593846
methyl (E)-4-carbomethoxy-3-methoxy-2-butenoate
CID 11052386
triethyl (E)-prop-2-ene-1,1,3-tricarboxylate
CID 5960955
sodium (Z)-1,5-diethoxy-1,5-dioxopent-2-en-3-olate
CID 23693481
ethyl (Z)-3-methoxy-5-oxopent-2-enoate
CID 24972228
ethyl (E)-3-[(E)-3-ethoxy-3-oxoprop-1-enoxy]pent-2-enoate
CID 101232104

Frequently Asked Questions

What is the IUPAC name of diethyl (Z)-3-ethoxypent-2-enedioate?
The IUPAC name of diethyl (Z)-3-ethoxypent-2-enedioate (CID 6371549) is diethyl (Z)-3-ethoxypent-2-enedioate.
What is the SMILES notation for diethyl (Z)-3-ethoxypent-2-enedioate?
The canonical SMILES for diethyl (Z)-3-ethoxypent-2-enedioate is CCOC(=O)/C=C(/CC(=O)OCC)OCC.
What is the InChIKey of diethyl (Z)-3-ethoxypent-2-enedioate?
The InChIKey is ZMIVGRRLOZXCMK-CLFYSBASSA-N. The full InChI is InChI=1S/C11H18O5/c1-4-14-9(7-10(12)15-5-2)8-11(13)16-6-3/h7H,4-6,8H2,1-3H3/b9-7-.
What are the key properties of diethyl (Z)-3-ethoxypent-2-enedioate?
diethyl (Z)-3-ethoxypent-2-enedioate has a molecular weight of 230.26 g/mol, XLogP of 1.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (Z)-3-ethoxypent-2-enedioate is sourced from PubChem (CID 6371549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).