diethyl (2E,4Z)-2-(furan-2-yl)-5-tributylstannylhexa-2,4-dienedioate

C26H42O5Sn — CID 177449750

IUPACdiethyl (2E,4Z)-2-(furan-2-yl)-5-tributylstannylhexa-2,4-dienedioate
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C\C=C(\C(=O)OCC)c1ccco1)C(=O)OCC
InChIInChI=1S/C14H15O5.3C4H9.Sn/c1-3-17-13(15)9-5-7-11(14(16)18-4-2)12-8-6-10-19-12;3*1-3-4-2;/h5-8,10H,3-4H2,1-2H3;3*1,3-4H2,2H3;/b9-5?,11-7+;;;;
InChIKeyAFHXXQXHPVUUKP-SYGDMISGSA-N
MW553.33 g/mol
LogP7.10
Rot. Bonds16

About diethyl (2E,4Z)-2-(furan-2-yl)-5-tributylstannylhexa-2,4-dienedioate

diethyl (2E,4Z)-2-(furan-2-yl)-5-tributylstannylhexa-2,4-dienedioate (PubChem CID 177449750) has the molecular formula C26H42O5Sn and a molecular weight of 553.33 g/mol. Its IUPAC name is diethyl (2E,4Z)-2-(furan-2-yl)-5-tributylstannylhexa-2,4-dienedioate.

Molecular Properties

Compound Namediethyl (2E,4Z)-2-(furan-2-yl)-5-tributylstannylhexa-2,4-dienedioate
PubChem CID177449750
Molecular FormulaC26H42O5Sn
Molecular Weight553.33 g/mol
Exact Mass554.21
IUPAC Namediethyl (2E,4Z)-2-(furan-2-yl)-5-tributylstannylhexa-2,4-dienedioate
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C\C=C(\C(=O)OCC)c1ccco1)C(=O)OCC
InChIInChI=1S/C14H15O5.3C4H9.Sn/c1-3-17-13(15)9-5-7-11(14(16)18-4-2)12-8-6-10-19-12;3*1-3-4-2;/h5-8,10H,3-4H2,1-2H3;3*1,3-4H2,2H3;/b9-5?,11-7+;;;;
InChIKeyAFHXXQXHPVUUKP-SYGDMISGSA-N
XLogP7.10
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.33
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze diethyl (2E,4Z)-2-(furan-2-yl)-5-tributylstannylhexa-2,4-dienedioate 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

diethyl 2-amino-2-(furan-2-carbonyl)propanedioate
CID 174833860
furan-2-carboxylic acid;hexane
CID 157215891
ethyl 3-(furan-2-yl)-3-oxopropanoate
CID 2759240
ethyl (2E)-2-[phenyl(tributylstannyl)methylidene]pent-4-enoate
CID 11318098
ethyl 2-(furan-2-carbonyl)-3-oxobutanoate
CID 2759235
ethyl 2,2-difluoro-3-(furan-2-yl)-3-oxopropanoate
CID 14249560
3-trimethylstannylpropyl furan-2-carboxylate
CID 12901421
ethyl (Z)-3-(furan-2-yl)-2-phenylprop-2-enoate
CID 170872169
ethyl 2-(1-chlorobutylidenehydrazinylidene)-2-(furan-2-yl)acetate
CID 54356267
butyl (2E,4Z)-5-(dimethylcarbamoyloxy)-5-(furan-2-yl)penta-2,4-dienoate
CID 102228107
ethyl 2-[4-(furan-2-carbonylamino)butanoylamino]propanoate
CID 61343133
ethyl (Z)-2-cyano-3-(furan-2-carbonylamino)prop-2-enoate
CID 2942084

Frequently Asked Questions

What is the IUPAC name of diethyl (2E,4Z)-2-(furan-2-yl)-5-tributylstannylhexa-2,4-dienedioate?
The IUPAC name of diethyl (2E,4Z)-2-(furan-2-yl)-5-tributylstannylhexa-2,4-dienedioate (CID 177449750) is diethyl (2E,4Z)-2-(furan-2-yl)-5-tributylstannylhexa-2,4-dienedioate.
What is the SMILES notation for diethyl (2E,4Z)-2-(furan-2-yl)-5-tributylstannylhexa-2,4-dienedioate?
The canonical SMILES for diethyl (2E,4Z)-2-(furan-2-yl)-5-tributylstannylhexa-2,4-dienedioate is CCCC[Sn](CCCC)(CCCC)/C(=C\C=C(\C(=O)OCC)c1ccco1)C(=O)OCC.
What is the InChIKey of diethyl (2E,4Z)-2-(furan-2-yl)-5-tributylstannylhexa-2,4-dienedioate?
The InChIKey is AFHXXQXHPVUUKP-SYGDMISGSA-N. The full InChI is InChI=1S/C14H15O5.3C4H9.Sn/c1-3-17-13(15)9-5-7-11(14(16)18-4-2)12-8-6-10-19-12;3*1-3-4-2;/h5-8,10H,3-4H2,1-2H3;3*1,3-4H2,2H3;/b9-5?,11-7+;;;;.
What are the key properties of diethyl (2E,4Z)-2-(furan-2-yl)-5-tributylstannylhexa-2,4-dienedioate?
diethyl (2E,4Z)-2-(furan-2-yl)-5-tributylstannylhexa-2,4-dienedioate has a molecular weight of 553.33 g/mol, XLogP of 7.10, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2E,4Z)-2-(furan-2-yl)-5-tributylstannylhexa-2,4-dienedioate is sourced from PubChem (CID 177449750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).