[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] 2,2-dimethylpropanoate

C17H34O3Si — CID 53304622

IUPAC[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCCC/C=C/O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-16(2,3)15(18)19-13-11-9-10-12-14-20-21(7,8)17(4,5)6/h12,14H,9-11,13H2,1-8H3/b14-12+
InChIKeyHAQGVHCVTWXFLK-WYMLVPIESA-N
MW314.54 g/mol
LogP5.28
Rot. Bonds7

About [(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] 2,2-dimethylpropanoate

[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] 2,2-dimethylpropanoate (PubChem CID 53304622) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is [(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] 2,2-dimethylpropanoate
PubChem CID53304622
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCCC/C=C/O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-16(2,3)15(18)19-13-11-9-10-12-14-20-21(7,8)17(4,5)6/h12,14H,9-11,13H2,1-8H3/b14-12+
InChIKeyHAQGVHCVTWXFLK-WYMLVPIESA-N
XLogP5.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.54
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Prop-2-enyl 8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,3-dienoate
CID 44817642
[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate
CID 134944492
(4R)-1-Acetoxy-4-(tert-butyldimethylsilyloxy)-5-pivaloyloxyhexene
CID 134780043
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 57598336
CID 59990313
CID 59990313
Methyl 5-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 76631626
5-Methylsilylpent-4-enyl 2,2-dimethylpropanoate
CID 123639896
[(Z)-5-trimethylsilylpent-4-enyl] 2,2-dimethylpropanoate
CID 140489874
[(Z)-5-methylsilylpent-4-enyl] 2,2-dimethylpropanoate
CID 158885575
ethyl (Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 11659094
[(2R,3R,4R)-2,4-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] 2,2-dimethylpropanoate
CID 11794464
CID 20765105
CID 20765105

Frequently Asked Questions

What is the IUPAC name of [(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] 2,2-dimethylpropanoate?
The IUPAC name of [(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] 2,2-dimethylpropanoate (CID 53304622) is [(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCCCC/C=C/O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] 2,2-dimethylpropanoate?
The InChIKey is HAQGVHCVTWXFLK-WYMLVPIESA-N. The full InChI is InChI=1S/C17H34O3Si/c1-16(2,3)15(18)19-13-11-9-10-12-14-20-21(7,8)17(4,5)6/h12,14H,9-11,13H2,1-8H3/b14-12+.
What are the key properties of [(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] 2,2-dimethylpropanoate?
[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] 2,2-dimethylpropanoate has a molecular weight of 314.54 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 53304622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).