[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate

C14H28O3Si — CID 134944492

IUPAC[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate
SMILESCC(=O)OCCCC/C=C/O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-13(15)16-11-9-7-8-10-12-17-18(5,6)14(2,3)4/h10,12H,7-9,11H2,1-6H3/b12-10+
InChIKeySNENZXDWEJHBRU-ZRDIBKRKSA-N
MW272.46 g/mol
LogP4.26
Rot. Bonds7

About [(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate

[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate (PubChem CID 134944492) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is [(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate.

Molecular Properties

Compound Name[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate
PubChem CID134944492
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate
SMILESCC(=O)OCCCC/C=C/O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-13(15)16-11-9-7-8-10-12-17-18(5,6)14(2,3)4/h10,12H,7-9,11H2,1-6H3/b12-10+
InChIKeySNENZXDWEJHBRU-ZRDIBKRKSA-N
XLogP4.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 54.26
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

[(E)-6-triethoxysilylhex-5-enyl] acetate
CID 11324172
4-Trimethylsilylhex-5-en-2-yl acetate
CID 12865712
[(3S)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate
CID 45101605
8-[Tert-butyl(dimethyl)silyl]oxyocta-2,3-dienyl acetate
CID 46188086
[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] 2,2-dimethylpropanoate
CID 53304622
4-(2,2,5,5-Tetramethyl-1,2,5-oxadisilol-3-yl)butyl acetate
CID 53483590
[(Z)-5,6-bis(trimethylsilyl)hex-5-enyl] acetate
CID 134966721
4-[[Tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl acetate
CID 138974747
[6-[Tert-butyl(dimethyl)silyl]oxy-4-methylidenehexyl] acetate
CID 164673289
(4-Methyl-4-trimethylsilylpentyl) but-3-enoate
CID 22971905
7-[Tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienyl acetate
CID 57291525
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 57598336

Frequently Asked Questions

What is the IUPAC name of [(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate?
The IUPAC name of [(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate (CID 134944492) is [(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate.
What is the SMILES notation for [(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate?
The canonical SMILES for [(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate is CC(=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] acetate?
The InChIKey is SNENZXDWEJHBRU-ZRDIBKRKSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-13(15)16-11-9-7-8-10-12-17-18(5,6)14(2,3)4/h10,12H,7-9,11H2,1-6H3/b12-10+.
What are the key properties of [(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate?
[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate has a molecular weight of 272.46 g/mol, XLogP of 4.26, 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] acetate is sourced from PubChem (CID 134944492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).