ethyl (2Z)-3-ethoxy-2-[tri(propan-2-yl)silylmethylidene]butanoate

C18H36O3Si — CID 164666861

IUPACethyl (2Z)-3-ethoxy-2-[tri(propan-2-yl)silylmethylidene]butanoate
SMILESCCOC(=O)/C(=C\[Si](C(C)C)(C(C)C)C(C)C)C(C)OCC
InChIInChI=1S/C18H36O3Si/c1-10-20-16(9)17(18(19)21-11-2)12-22(13(3)4,14(5)6)15(7)8/h12-16H,10-11H2,1-9H3/b17-12-
InChIKeyVXFUCPRBJFDTQA-ATVHPVEESA-N
MW328.57 g/mol
LogP5.12
Rot. Bonds9

About ethyl (2Z)-3-ethoxy-2-[tri(propan-2-yl)silylmethylidene]butanoate

ethyl (2Z)-3-ethoxy-2-[tri(propan-2-yl)silylmethylidene]butanoate (PubChem CID 164666861) has the molecular formula C18H36O3Si and a molecular weight of 328.57 g/mol. Its IUPAC name is ethyl (2Z)-3-ethoxy-2-[tri(propan-2-yl)silylmethylidene]butanoate.

Molecular Properties

Compound Nameethyl (2Z)-3-ethoxy-2-[tri(propan-2-yl)silylmethylidene]butanoate
PubChem CID164666861
Molecular FormulaC18H36O3Si
Molecular Weight328.57 g/mol
Exact Mass328.24
IUPAC Nameethyl (2Z)-3-ethoxy-2-[tri(propan-2-yl)silylmethylidene]butanoate
SMILESCCOC(=O)/C(=C\[Si](C(C)C)(C(C)C)C(C)C)C(C)OCC
InChIInChI=1S/C18H36O3Si/c1-10-20-16(9)17(18(19)21-11-2)12-22(13(3)4,14(5)6)15(7)8/h12-16H,10-11H2,1-9H3/b17-12-
InChIKeyVXFUCPRBJFDTQA-ATVHPVEESA-N
XLogP5.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.57
LogP ≤ 55.12
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'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-3-ethoxy-2-[tri(propan-2-yl)silylmethylidene]butanoate?
The IUPAC name of ethyl (2Z)-3-ethoxy-2-[tri(propan-2-yl)silylmethylidene]butanoate (CID 164666861) is ethyl (2Z)-3-ethoxy-2-[tri(propan-2-yl)silylmethylidene]butanoate.
What is the SMILES notation for ethyl (2Z)-3-ethoxy-2-[tri(propan-2-yl)silylmethylidene]butanoate?
The canonical SMILES for ethyl (2Z)-3-ethoxy-2-[tri(propan-2-yl)silylmethylidene]butanoate is CCOC(=O)/C(=C\[Si](C(C)C)(C(C)C)C(C)C)C(C)OCC.
What is the InChIKey of ethyl (2Z)-3-ethoxy-2-[tri(propan-2-yl)silylmethylidene]butanoate?
The InChIKey is VXFUCPRBJFDTQA-ATVHPVEESA-N. The full InChI is InChI=1S/C18H36O3Si/c1-10-20-16(9)17(18(19)21-11-2)12-22(13(3)4,14(5)6)15(7)8/h12-16H,10-11H2,1-9H3/b17-12-.
What are the key properties of ethyl (2Z)-3-ethoxy-2-[tri(propan-2-yl)silylmethylidene]butanoate?
ethyl (2Z)-3-ethoxy-2-[tri(propan-2-yl)silylmethylidene]butanoate has a molecular weight of 328.57 g/mol, XLogP of 5.12, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-3-ethoxy-2-[tri(propan-2-yl)silylmethylidene]butanoate is sourced from PubChem (CID 164666861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).