ethyl (E,4R)-4-tri(propan-2-yl)silyloxyhex-2-enoate

C17H34O3Si — CID 5468979

IUPACethyl (E,4R)-4-tri(propan-2-yl)silyloxyhex-2-enoate
SMILESCCOC(=O)/C=C/[C@@H](CC)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H34O3Si/c1-9-16(11-12-17(18)19-10-2)20-21(13(3)4,14(5)6)15(7)8/h11-16H,9-10H2,1-8H3/b12-11+/t16-/m1/s1
InChIKeyYRYUITSZIIQWIE-LPQFERQCSA-N
MW314.54 g/mol
LogP5.08
Rot. Bonds9

About ethyl (E,4R)-4-tri(propan-2-yl)silyloxyhex-2-enoate

ethyl (E,4R)-4-tri(propan-2-yl)silyloxyhex-2-enoate (PubChem CID 5468979) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is ethyl (E,4R)-4-tri(propan-2-yl)silyloxyhex-2-enoate.

Molecular Properties

Compound Nameethyl (E,4R)-4-tri(propan-2-yl)silyloxyhex-2-enoate
PubChem CID5468979
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Nameethyl (E,4R)-4-tri(propan-2-yl)silyloxyhex-2-enoate
SMILESCCOC(=O)/C=C/[C@@H](CC)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H34O3Si/c1-9-16(11-12-17(18)19-10-2)20-21(13(3)4,14(5)6)15(7)8/h11-16H,9-10H2,1-8H3/b12-11+/t16-/m1/s1
InChIKeyYRYUITSZIIQWIE-LPQFERQCSA-N
XLogP5.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.54
LogP ≤ 55.08
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 (E,4R)-4-tri(propan-2-yl)silyloxyhex-2-enoate?
The IUPAC name of ethyl (E,4R)-4-tri(propan-2-yl)silyloxyhex-2-enoate (CID 5468979) is ethyl (E,4R)-4-tri(propan-2-yl)silyloxyhex-2-enoate.
What is the SMILES notation for ethyl (E,4R)-4-tri(propan-2-yl)silyloxyhex-2-enoate?
The canonical SMILES for ethyl (E,4R)-4-tri(propan-2-yl)silyloxyhex-2-enoate is CCOC(=O)/C=C/[C@@H](CC)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of ethyl (E,4R)-4-tri(propan-2-yl)silyloxyhex-2-enoate?
The InChIKey is YRYUITSZIIQWIE-LPQFERQCSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-9-16(11-12-17(18)19-10-2)20-21(13(3)4,14(5)6)15(7)8/h11-16H,9-10H2,1-8H3/b12-11+/t16-/m1/s1.
What are the key properties of ethyl (E,4R)-4-tri(propan-2-yl)silyloxyhex-2-enoate?
ethyl (E,4R)-4-tri(propan-2-yl)silyloxyhex-2-enoate has a molecular weight of 314.54 g/mol, XLogP of 5.08, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,4R)-4-tri(propan-2-yl)silyloxyhex-2-enoate is sourced from PubChem (CID 5468979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).