ethyl (2E)-2-(furan-2-ylmethylidene)-4-tri(propan-2-yl)silylbut-3-ynoate

C20H30O3Si — CID 132525007

IUPACethyl (2E)-2-(furan-2-ylmethylidene)-4-tri(propan-2-yl)silylbut-3-ynoate
SMILESCCOC(=O)/C(C#C[Si](C(C)C)(C(C)C)C(C)C)=C/c1ccco1
InChIInChI=1S/C20H30O3Si/c1-8-22-20(21)18(14-19-10-9-12-23-19)11-13-24(15(2)3,16(4)5)17(6)7/h9-10,12,14-17H,8H2,1-7H3/b18-14+
InChIKeyJVLNMNMSCNIVEB-NBVRZTHBSA-N
MW346.54 g/mol
LogP5.45
Rot. Bonds6

About ethyl (2E)-2-(furan-2-ylmethylidene)-4-tri(propan-2-yl)silylbut-3-ynoate

ethyl (2E)-2-(furan-2-ylmethylidene)-4-tri(propan-2-yl)silylbut-3-ynoate (PubChem CID 132525007) has the molecular formula C20H30O3Si and a molecular weight of 346.54 g/mol. Its IUPAC name is ethyl (2E)-2-(furan-2-ylmethylidene)-4-tri(propan-2-yl)silylbut-3-ynoate.

Molecular Properties

Compound Nameethyl (2E)-2-(furan-2-ylmethylidene)-4-tri(propan-2-yl)silylbut-3-ynoate
PubChem CID132525007
Molecular FormulaC20H30O3Si
Molecular Weight346.54 g/mol
Exact Mass346.20
IUPAC Nameethyl (2E)-2-(furan-2-ylmethylidene)-4-tri(propan-2-yl)silylbut-3-ynoate
SMILESCCOC(=O)/C(C#C[Si](C(C)C)(C(C)C)C(C)C)=C/c1ccco1
InChIInChI=1S/C20H30O3Si/c1-8-22-20(21)18(14-19-10-9-12-23-19)11-13-24(15(2)3,16(4)5)17(6)7/h9-10,12,14-17H,8H2,1-7H3/b18-14+
InChIKeyJVLNMNMSCNIVEB-NBVRZTHBSA-N
XLogP5.45
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.54
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2E)-2-benzylidene-4-tri(propan-2-yl)silylbut-3-ynoate
CID 132525006
ethyl (Z)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 5337852
3-ethoxycarbonyl-4-(furan-2-yl)but-3-enoic acid
CID 71362609
ethyl 4,4-diethoxy-2-(furan-2-ylmethylidene)-3-oxobutanoate
CID 70073300
ethyl (Z)-3-(furan-2-yl)-2-phenylprop-2-enoate
CID 170872169
ethyl (2Z)-4-formyloxy-2-(furan-2-ylmethylidene)butanoate
CID 87438897
ethyl (E)-2-(1,3-dioxolan-2-ylmethyl)-3-(furan-2-yl)prop-2-enoate
CID 58232580
methyl (E)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 5467940
ethyl (E)-3-(furan-2-yl)-2-(1,2,4-triazol-1-ylmethyl)prop-2-enoate
CID 53486478
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] (E)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 7560260
ethyl (E,2E)-2-(furan-2-ylmethylidene)-4-(4-methoxyphenyl)but-3-enoate
CID 101496256
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] (E)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 7914703

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-(furan-2-ylmethylidene)-4-tri(propan-2-yl)silylbut-3-ynoate?
The IUPAC name of ethyl (2E)-2-(furan-2-ylmethylidene)-4-tri(propan-2-yl)silylbut-3-ynoate (CID 132525007) is ethyl (2E)-2-(furan-2-ylmethylidene)-4-tri(propan-2-yl)silylbut-3-ynoate.
What is the SMILES notation for ethyl (2E)-2-(furan-2-ylmethylidene)-4-tri(propan-2-yl)silylbut-3-ynoate?
The canonical SMILES for ethyl (2E)-2-(furan-2-ylmethylidene)-4-tri(propan-2-yl)silylbut-3-ynoate is CCOC(=O)/C(C#C[Si](C(C)C)(C(C)C)C(C)C)=C/c1ccco1.
What is the InChIKey of ethyl (2E)-2-(furan-2-ylmethylidene)-4-tri(propan-2-yl)silylbut-3-ynoate?
The InChIKey is JVLNMNMSCNIVEB-NBVRZTHBSA-N. The full InChI is InChI=1S/C20H30O3Si/c1-8-22-20(21)18(14-19-10-9-12-23-19)11-13-24(15(2)3,16(4)5)17(6)7/h9-10,12,14-17H,8H2,1-7H3/b18-14+.
What are the key properties of ethyl (2E)-2-(furan-2-ylmethylidene)-4-tri(propan-2-yl)silylbut-3-ynoate?
ethyl (2E)-2-(furan-2-ylmethylidene)-4-tri(propan-2-yl)silylbut-3-ynoate has a molecular weight of 346.54 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-(furan-2-ylmethylidene)-4-tri(propan-2-yl)silylbut-3-ynoate is sourced from PubChem (CID 132525007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).