ethyl (Z)-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-enoate

C18H34O3Si — CID 138985139

IUPACethyl (Z)-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-enoate
SMILESCCOC(=O)/C(=C\[Si](C(C)C)(C(C)C)C(C)C)C1CCCO1
InChIInChI=1S/C18H34O3Si/c1-8-20-18(19)16(17-10-9-11-21-17)12-22(13(2)3,14(4)5)15(6)7/h12-15,17H,8-11H2,1-7H3/b16-12-
InChIKeyWKZMXMHNCPJSTO-VBKFSLOCSA-N
MW326.55 g/mol
LogP4.87
Rot. Bonds7

About ethyl (Z)-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-enoate

ethyl (Z)-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-enoate (PubChem CID 138985139) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is ethyl (Z)-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-enoate
PubChem CID138985139
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Nameethyl (Z)-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-enoate
SMILESCCOC(=O)/C(=C\[Si](C(C)C)(C(C)C)C(C)C)C1CCCO1
InChIInChI=1S/C18H34O3Si/c1-8-20-18(19)16(17-10-9-11-21-17)12-22(13(2)3,14(4)5)15(6)7/h12-15,17H,8-11H2,1-7H3/b16-12-
InChIKeyWKZMXMHNCPJSTO-VBKFSLOCSA-N
XLogP4.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 54.87
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 (Z)-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-enoate?
The IUPAC name of ethyl (Z)-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-enoate (CID 138985139) is ethyl (Z)-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-enoate?
The canonical SMILES for ethyl (Z)-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-enoate is CCOC(=O)/C(=C\[Si](C(C)C)(C(C)C)C(C)C)C1CCCO1.
What is the InChIKey of ethyl (Z)-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-enoate?
The InChIKey is WKZMXMHNCPJSTO-VBKFSLOCSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-8-20-18(19)16(17-10-9-11-21-17)12-22(13(2)3,14(4)5)15(6)7/h12-15,17H,8-11H2,1-7H3/b16-12-.
What are the key properties of ethyl (Z)-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-enoate?
ethyl (Z)-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-enoate has a molecular weight of 326.55 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-enoate is sourced from PubChem (CID 138985139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).