ethyl 2-[ethoxy(hydroxy)methylidene]pent-4-enoate

C10H16O4 — CID 15974215

IUPACethyl 2-[ethoxy(hydroxy)methylidene]pent-4-enoate
SMILESC=CCC(C(=O)OCC)=C(O)OCC
InChIInChI=1S/C10H16O4/c1-4-7-8(9(11)13-5-2)10(12)14-6-3/h4,11H,1,5-7H2,2-3H3
InChIKeyLDFMEKNGGZPLBE-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.93
Rot. Bonds6

About ethyl 2-[ethoxy(hydroxy)methylidene]pent-4-enoate

ethyl 2-[ethoxy(hydroxy)methylidene]pent-4-enoate (PubChem CID 15974215) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is ethyl 2-[ethoxy(hydroxy)methylidene]pent-4-enoate.

Molecular Properties

Compound Nameethyl 2-[ethoxy(hydroxy)methylidene]pent-4-enoate
PubChem CID15974215
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Nameethyl 2-[ethoxy(hydroxy)methylidene]pent-4-enoate
SMILESC=CCC(C(=O)OCC)=C(O)OCC
InChIInChI=1S/C10H16O4/c1-4-7-8(9(11)13-5-2)10(12)14-6-3/h4,11H,1,5-7H2,2-3H3
InChIKeyLDFMEKNGGZPLBE-UHFFFAOYSA-N
XLogP1.93
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2Z)-2-[hydroxy(methoxy)methylidene]pent-4-enoate
CID 15204813
carbanide;ethyl (Z,2Z)-2-[ethoxy(hydroxy)methylidene]hex-4-enoate;nickel(2+)
CID 134861249
(1E)-1-methoxy-2-methoxycarbonylpenta-1,4-dien-1-olate
CID 134864088
sodium (1E)-1-ethoxy-2-ethoxycarbonyl-6-methylhepta-1,4,5-trien-1-olate
CID 134963436
2-[Hydroxy(prop-2-enoxy)methylidene]pentanoic acid
CID 87763281
Prop-2-enoic acid;prop-2-enyl 2-methylidenepent-4-enoate
CID 88064906
Ethenyl 2-methylidenepent-4-enoate;2-methylprop-2-enoic acid
CID 88470568
2-Methylidenepent-4-enoic acid;prop-2-enyl 2-methylprop-2-enoate
CID 88492870
Ethyl 2-(hydroxymethylidene)pent-4-enoate
CID 88727047
Ethenyl 5-(2-methylprop-2-enoyloxy)pent-4-enoate
CID 91543406
Ethyl 2-(ethoxymethylidene)pent-4-enoate
CID 139758938
4-Carboxyoxybut-3-enyl 2-methylprop-2-enoate
CID 154336976

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethoxy(hydroxy)methylidene]pent-4-enoate?
The IUPAC name of ethyl 2-[ethoxy(hydroxy)methylidene]pent-4-enoate (CID 15974215) is ethyl 2-[ethoxy(hydroxy)methylidene]pent-4-enoate.
What is the SMILES notation for ethyl 2-[ethoxy(hydroxy)methylidene]pent-4-enoate?
The canonical SMILES for ethyl 2-[ethoxy(hydroxy)methylidene]pent-4-enoate is C=CCC(C(=O)OCC)=C(O)OCC.
What is the InChIKey of ethyl 2-[ethoxy(hydroxy)methylidene]pent-4-enoate?
The InChIKey is LDFMEKNGGZPLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-4-7-8(9(11)13-5-2)10(12)14-6-3/h4,11H,1,5-7H2,2-3H3.
What are the key properties of ethyl 2-[ethoxy(hydroxy)methylidene]pent-4-enoate?
ethyl 2-[ethoxy(hydroxy)methylidene]pent-4-enoate has a molecular weight of 200.23 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethoxy(hydroxy)methylidene]pent-4-enoate is sourced from PubChem (CID 15974215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).