ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methylheptanoate

C16H34O3Si — CID 10902739

IUPACethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methylheptanoate
SMILESCCCCC(C)(CC(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O3Si/c1-9-11-12-16(6,13-14(17)18-10-2)19-20(7,8)15(3,4)5/h9-13H2,1-8H3
InChIKeyFPRIQZMZZJWCSB-UHFFFAOYSA-N
MW302.53 g/mol
LogP4.91
Rot. Bonds8

About ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methylheptanoate

ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methylheptanoate (PubChem CID 10902739) has the molecular formula C16H34O3Si and a molecular weight of 302.53 g/mol. Its IUPAC name is ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methylheptanoate.

Molecular Properties

Compound Nameethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methylheptanoate
PubChem CID10902739
Molecular FormulaC16H34O3Si
Molecular Weight302.53 g/mol
Exact Mass302.23
IUPAC Nameethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methylheptanoate
SMILESCCCCC(C)(CC(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O3Si/c1-9-11-12-16(6,13-14(17)18-10-2)19-20(7,8)15(3,4)5/h9-13H2,1-8H3
InChIKeyFPRIQZMZZJWCSB-UHFFFAOYSA-N
XLogP4.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methylheptanoate?
The IUPAC name of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methylheptanoate (CID 10902739) is ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methylheptanoate.
What is the SMILES notation for ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methylheptanoate?
The canonical SMILES for ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methylheptanoate is CCCCC(C)(CC(=O)OCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methylheptanoate?
The InChIKey is FPRIQZMZZJWCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3Si/c1-9-11-12-16(6,13-14(17)18-10-2)19-20(7,8)15(3,4)5/h9-13H2,1-8H3.
What are the key properties of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methylheptanoate?
ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methylheptanoate has a molecular weight of 302.53 g/mol, XLogP of 4.91, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methylheptanoate is sourced from PubChem (CID 10902739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).