tert-butyl (E)-4-(furan-2-yl)but-3-enoate

C12H16O3 — CID 102382884

IUPACtert-butyl (E)-4-(furan-2-yl)but-3-enoate
SMILESCC(C)(C)OC(=O)C/C=C/c1ccco1
InChIInChI=1S/C12H16O3/c1-12(2,3)15-11(13)8-4-6-10-7-5-9-14-10/h4-7,9H,8H2,1-3H3/b6-4+
InChIKeyLUJLBXMOMTZGGH-GQCTYLIASA-N
MW208.26 g/mol
LogP3.02
Rot. Bonds3

About tert-butyl (E)-4-(furan-2-yl)but-3-enoate

tert-butyl (E)-4-(furan-2-yl)but-3-enoate (PubChem CID 102382884) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is tert-butyl (E)-4-(furan-2-yl)but-3-enoate.

Molecular Properties

Compound Nametert-butyl (E)-4-(furan-2-yl)but-3-enoate
PubChem CID102382884
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Nametert-butyl (E)-4-(furan-2-yl)but-3-enoate
SMILESCC(C)(C)OC(=O)C/C=C/c1ccco1
InChIInChI=1S/C12H16O3/c1-12(2,3)15-11(13)8-4-6-10-7-5-9-14-10/h4-7,9H,8H2,1-3H3/b6-4+
InChIKeyLUJLBXMOMTZGGH-GQCTYLIASA-N
XLogP3.02
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl (E)-4-(furan-2-yl)but-3-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

methyl (E)-9-(furan-2-yl)non-8-enoate
CID 11322314
methyl (E,2S)-5-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 71501506
tert-butyl (NZ)-N-(furan-2-ylmethylidene)carbamate
CID 45091867
tert-butyl 3-(furan-2-yl)propanoate
CID 63897010
tert-butyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate
CID 4876281
tert-butyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]carbamate
CID 2543493
4-(furan-2-yl)-2-methylbut-3-en-2-ol
CID 71370744
ethyl (E)-2-amino-5-(furan-2-yl)pent-4-enoate
CID 10976711
[(E)-3-(furan-2-yl)prop-2-enyl] prop-2-enoate
CID 164665963
tert-butyl 2-(furan-2-carbonylamino)acetate
CID 78966369
3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 79347007
N-[3-(furan-2-yl)prop-2-enyl]-2-methylpropan-2-amine
CID 79348296

Frequently Asked Questions

What is the IUPAC name of tert-butyl (E)-4-(furan-2-yl)but-3-enoate?
The IUPAC name of tert-butyl (E)-4-(furan-2-yl)but-3-enoate (CID 102382884) is tert-butyl (E)-4-(furan-2-yl)but-3-enoate.
What is the SMILES notation for tert-butyl (E)-4-(furan-2-yl)but-3-enoate?
The canonical SMILES for tert-butyl (E)-4-(furan-2-yl)but-3-enoate is CC(C)(C)OC(=O)C/C=C/c1ccco1.
What is the InChIKey of tert-butyl (E)-4-(furan-2-yl)but-3-enoate?
The InChIKey is LUJLBXMOMTZGGH-GQCTYLIASA-N. The full InChI is InChI=1S/C12H16O3/c1-12(2,3)15-11(13)8-4-6-10-7-5-9-14-10/h4-7,9H,8H2,1-3H3/b6-4+.
What are the key properties of tert-butyl (E)-4-(furan-2-yl)but-3-enoate?
tert-butyl (E)-4-(furan-2-yl)but-3-enoate has a molecular weight of 208.26 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (E)-4-(furan-2-yl)but-3-enoate is sourced from PubChem (CID 102382884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).