tert-butyl (E)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enoate

C24H50O4Si2 — CID 101369327

IUPACtert-butyl (E)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enoate
SMILESCCC(CC/C(=C\C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H50O4Si2/c1-15-19(27-29(11,12)23(5,6)7)16-17-20(18-21(25)26-22(2,3)4)28-30(13,14)24(8,9)10/h18-19H,15-17H2,1-14H3/b20-18+
InChIKeyZPQAIKHYPYZZGL-CZIZESTLSA-N
MW458.83 g/mol
LogP7.81
Rot. Bonds9

About tert-butyl (E)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enoate

tert-butyl (E)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enoate (PubChem CID 101369327) has the molecular formula C24H50O4Si2 and a molecular weight of 458.83 g/mol. Its IUPAC name is tert-butyl (E)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enoate.

Molecular Properties

Compound Nametert-butyl (E)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enoate
PubChem CID101369327
Molecular FormulaC24H50O4Si2
Molecular Weight458.83 g/mol
Exact Mass458.32
IUPAC Nametert-butyl (E)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enoate
SMILESCCC(CC/C(=C\C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H50O4Si2/c1-15-19(27-29(11,12)23(5,6)7)16-17-20(18-21(25)26-22(2,3)4)28-30(13,14)24(8,9)10/h18-19H,15-17H2,1-14H3/b20-18+
InChIKeyZPQAIKHYPYZZGL-CZIZESTLSA-N
XLogP7.81
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.83
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze tert-butyl (E)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enoate with MolForge

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Related Compounds

(E)-tert-Butyl 11-(tert-butyldimethylsilyloxy)-2-undecenoate
CID 24859311
ethyl (E,7R,8S)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-2-enoate
CID 101549967
[(1S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl] acetate
CID 134836941
methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-2-enoate
CID 134846818
ethyl (E)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-enoate
CID 135012258
diethyl (2Z,9Z)-6-[tert-butyl(dimethyl)silyl]oxyundeca-2,9-dienedioate
CID 135073113
(3E,7S,10E,14S)-7,14-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dioxacyclotetradeca-3,10-diene-2,9-dione
CID 138976732
ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-6-(oxiran-2-yl)hex-2-enoate
CID 138984022
ethyl (2E)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-ylidene]acetate
CID 138984028
ethyl (2E)-3-[tert-butyl(dimethyl)silyl]oxyocta-2,7-dienoate
CID 138984142
ethyl (2E,7S)-7-tri(propan-2-yl)silyloxynona-2,8-dienoate
CID 139252212
[(E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-3-en-2-yl] acetate
CID 139263528

Frequently Asked Questions

What is the IUPAC name of tert-butyl (E)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enoate?
The IUPAC name of tert-butyl (E)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enoate (CID 101369327) is tert-butyl (E)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enoate.
What is the SMILES notation for tert-butyl (E)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enoate?
The canonical SMILES for tert-butyl (E)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enoate is CCC(CC/C(=C\C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (E)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enoate?
The InChIKey is ZPQAIKHYPYZZGL-CZIZESTLSA-N. The full InChI is InChI=1S/C24H50O4Si2/c1-15-19(27-29(11,12)23(5,6)7)16-17-20(18-21(25)26-22(2,3)4)28-30(13,14)24(8,9)10/h18-19H,15-17H2,1-14H3/b20-18+.
What are the key properties of tert-butyl (E)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enoate?
tert-butyl (E)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enoate has a molecular weight of 458.83 g/mol, XLogP of 7.81, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (E)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enoate is sourced from PubChem (CID 101369327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).