ethyl 7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate

C16H32O3Si — CID 85382435

IUPACethyl 7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate
SMILESCCOC(=O)C(C)=CCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-8-18-15(17)14(2)12-10-9-11-13-19-20(6,7)16(3,4)5/h12H,8-11,13H2,1-7H3
InChIKeySJNYNGICXGOFDI-UHFFFAOYSA-N
MW300.52 g/mol
LogP4.69
Rot. Bonds8

About ethyl 7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate

ethyl 7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate (PubChem CID 85382435) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is ethyl 7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate.

Molecular Properties

Compound Nameethyl 7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate
PubChem CID85382435
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Nameethyl 7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate
SMILESCCOC(=O)C(C)=CCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-8-18-15(17)14(2)12-10-9-11-13-19-20(6,7)16(3,4)5/h12H,8-11,13H2,1-7H3
InChIKeySJNYNGICXGOFDI-UHFFFAOYSA-N
XLogP4.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-2-methylhept-2-enoate?
The IUPAC name of ethyl 7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate (CID 85382435) is ethyl 7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate.
What is the SMILES notation for ethyl 7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate?
The canonical SMILES for ethyl 7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate is CCOC(=O)C(C)=CCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate?
The InChIKey is SJNYNGICXGOFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-8-18-15(17)14(2)12-10-9-11-13-19-20(6,7)16(3,4)5/h12H,8-11,13H2,1-7H3.
What are the key properties of ethyl 7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate?
ethyl 7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate has a molecular weight of 300.52 g/mol, XLogP of 4.69, 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-2-methylhept-2-enoate is sourced from PubChem (CID 85382435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).