ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-(2-prop-2-enoxypropan-2-yl)hexanoate

C21H42O4Si — CID 10691577

IUPACethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-(2-prop-2-enoxypropan-2-yl)hexanoate
SMILESC=CCOC(C)(C)C(C)(CCCCO[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C21H42O4Si/c1-11-16-24-20(6,7)21(8,18(22)23-12-2)15-13-14-17-25-26(9,10)19(3,4)5/h11H,1,12-17H2,2-10H3
InChIKeyUXQKGESJOMLRAM-UHFFFAOYSA-N
MW386.65 g/mol
LogP5.73
Rot. Bonds12

About ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-(2-prop-2-enoxypropan-2-yl)hexanoate

ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-(2-prop-2-enoxypropan-2-yl)hexanoate (PubChem CID 10691577) has the molecular formula C21H42O4Si and a molecular weight of 386.65 g/mol. Its IUPAC name is ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-(2-prop-2-enoxypropan-2-yl)hexanoate.

Molecular Properties

Compound Nameethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-(2-prop-2-enoxypropan-2-yl)hexanoate
PubChem CID10691577
Molecular FormulaC21H42O4Si
Molecular Weight386.65 g/mol
Exact Mass386.29
IUPAC Nameethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-(2-prop-2-enoxypropan-2-yl)hexanoate
SMILESC=CCOC(C)(C)C(C)(CCCCO[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C21H42O4Si/c1-11-16-24-20(6,7)21(8,18(22)23-12-2)15-13-14-17-25-26(9,10)19(3,4)5/h11H,1,12-17H2,2-10H3
InChIKeyUXQKGESJOMLRAM-UHFFFAOYSA-N
XLogP5.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.65
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-(2-prop-2-enoxypropan-2-yl)hexanoate?
The IUPAC name of ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-(2-prop-2-enoxypropan-2-yl)hexanoate (CID 10691577) is ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-(2-prop-2-enoxypropan-2-yl)hexanoate.
What is the SMILES notation for ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-(2-prop-2-enoxypropan-2-yl)hexanoate?
The canonical SMILES for ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-(2-prop-2-enoxypropan-2-yl)hexanoate is C=CCOC(C)(C)C(C)(CCCCO[Si](C)(C)C(C)(C)C)C(=O)OCC.
What is the InChIKey of ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-(2-prop-2-enoxypropan-2-yl)hexanoate?
The InChIKey is UXQKGESJOMLRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O4Si/c1-11-16-24-20(6,7)21(8,18(22)23-12-2)15-13-14-17-25-26(9,10)19(3,4)5/h11H,1,12-17H2,2-10H3.
What are the key properties of ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-(2-prop-2-enoxypropan-2-yl)hexanoate?
ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-(2-prop-2-enoxypropan-2-yl)hexanoate has a molecular weight of 386.65 g/mol, XLogP of 5.73, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-(2-prop-2-enoxypropan-2-yl)hexanoate is sourced from PubChem (CID 10691577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).