ethyl 7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhept-2-enoate

C17H34O3Si — CID 54380609

IUPACethyl 7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhept-2-enoate
SMILESCCOC(=O)C=CCC(C)(C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-9-19-15(18)11-10-12-17(5,6)13-14-20-21(7,8)16(2,3)4/h10-11H,9,12-14H2,1-8H3
InChIKeyUZPZUBNHWNVUAU-UHFFFAOYSA-N
MW314.54 g/mol
LogP4.93
Rot. Bonds8

About ethyl 7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhept-2-enoate

ethyl 7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhept-2-enoate (PubChem CID 54380609) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is ethyl 7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhept-2-enoate.

Molecular Properties

Compound Nameethyl 7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhept-2-enoate
PubChem CID54380609
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Nameethyl 7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhept-2-enoate
SMILESCCOC(=O)C=CCC(C)(C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-9-19-15(18)11-10-12-17(5,6)13-14-20-21(7,8)16(2,3)4/h10-11H,9,12-14H2,1-8H3
InChIKeyUZPZUBNHWNVUAU-UHFFFAOYSA-N
XLogP4.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.93
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 7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhept-2-enoate?
The IUPAC name of ethyl 7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhept-2-enoate (CID 54380609) is ethyl 7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhept-2-enoate.
What is the SMILES notation for ethyl 7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhept-2-enoate?
The canonical SMILES for ethyl 7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhept-2-enoate is CCOC(=O)C=CCC(C)(C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhept-2-enoate?
The InChIKey is UZPZUBNHWNVUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-9-19-15(18)11-10-12-17(5,6)13-14-20-21(7,8)16(2,3)4/h10-11H,9,12-14H2,1-8H3.
What are the key properties of ethyl 7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhept-2-enoate?
ethyl 7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhept-2-enoate has a molecular weight of 314.54 g/mol, XLogP of 4.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhept-2-enoate is sourced from PubChem (CID 54380609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).