ethyl (E)-4-but-3-enoxybut-2-enoate

C10H16O3 — CID 80545662

IUPACethyl (E)-4-but-3-enoxybut-2-enoate
SMILESC=CCCOC/C=C/C(=O)OCC
InChIInChI=1S/C10H16O3/c1-3-5-8-12-9-6-7-10(11)13-4-2/h3,6-7H,1,4-5,8-9H2,2H3/b7-6+
InChIKeyDHXNBVYBAFPIKM-VOTSOKGWSA-N
MW184.23 g/mol
LogP1.70
Rot. Bonds7

About ethyl (E)-4-but-3-enoxybut-2-enoate

ethyl (E)-4-but-3-enoxybut-2-enoate (PubChem CID 80545662) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is ethyl (E)-4-but-3-enoxybut-2-enoate.

Molecular Properties

Compound Nameethyl (E)-4-but-3-enoxybut-2-enoate
PubChem CID80545662
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Nameethyl (E)-4-but-3-enoxybut-2-enoate
SMILESC=CCCOC/C=C/C(=O)OCC
InChIInChI=1S/C10H16O3/c1-3-5-8-12-9-6-7-10(11)13-4-2/h3,6-7H,1,4-5,8-9H2,2H3/b7-6+
InChIKeyDHXNBVYBAFPIKM-VOTSOKGWSA-N
XLogP1.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (E)-4-but-3-enoxybut-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (E)-4-pentoxybut-2-enoate
CID 80545756
ethyl (2Z)-deca-2,9-dienoate
CID 141142906
bis(prop-2-enyl) (E)-but-2-enedioate;diethyl (Z)-but-2-enedioate
CID 135146372
ethyl (E)-5-hydroxypent-2-enoate
CID 13062577
CID 88935582
CID 88935582
ethyl (E)-5-iodopent-2-enoate
CID 88671590
ethyl 3-but-3-enoxypropanoate
CID 43174166
bis(2-octa-2,7-dienoxyethyl) but-2-enedioate
CID 91193780
ethyl (Z)-pent-2-enoate
CID 11332473
ethyl (E)-4-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]but-2-enoate
CID 171060040
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
ethyl hex-5-enyl carbonate
CID 45140691

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-4-but-3-enoxybut-2-enoate?
The IUPAC name of ethyl (E)-4-but-3-enoxybut-2-enoate (CID 80545662) is ethyl (E)-4-but-3-enoxybut-2-enoate.
What is the SMILES notation for ethyl (E)-4-but-3-enoxybut-2-enoate?
The canonical SMILES for ethyl (E)-4-but-3-enoxybut-2-enoate is C=CCCOC/C=C/C(=O)OCC.
What is the InChIKey of ethyl (E)-4-but-3-enoxybut-2-enoate?
The InChIKey is DHXNBVYBAFPIKM-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-5-8-12-9-6-7-10(11)13-4-2/h3,6-7H,1,4-5,8-9H2,2H3/b7-6+.
What are the key properties of ethyl (E)-4-but-3-enoxybut-2-enoate?
ethyl (E)-4-but-3-enoxybut-2-enoate has a molecular weight of 184.23 g/mol, XLogP of 1.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-4-but-3-enoxybut-2-enoate is sourced from PubChem (CID 80545662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).