[(E)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-1-enyl] acetate

C16H32O3Si — CID 101380619

IUPAC[(E)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-1-enyl] acetate
SMILESCC/C(=C\OC(C)=O)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-8-15(13-18-14(2)17)11-9-10-12-19-20(6,7)16(3,4)5/h13H,8-12H2,1-7H3/b15-13+
InChIKeyPOBXTVINKLTOCA-FYWRMAATSA-N
MW300.51 g/mol
LogP5.04
Rot. Bonds8

About [(E)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-1-enyl] acetate

[(E)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-1-enyl] acetate (PubChem CID 101380619) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is [(E)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-1-enyl] acetate.

Molecular Properties

Compound Name[(E)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-1-enyl] acetate
PubChem CID101380619
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Name[(E)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-1-enyl] acetate
SMILESCC/C(=C\OC(C)=O)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-8-15(13-18-14(2)17)11-9-10-12-19-20(6,7)16(3,4)5/h13H,8-12H2,1-7H3/b15-13+
InChIKeyPOBXTVINKLTOCA-FYWRMAATSA-N
XLogP5.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.51
LogP ≤ 55.04
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

[(7E)-5-methylidene-7-(trimethylsilylmethylidene)tridecyl] 2,2-dimethylpropanoate
CID 100968593
[(Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylhex-1-enyl] acetate
CID 11660377
2-(Trimethylsilylmethyl)dodec-1-en-5-yl acetate
CID 12841784
[(E)-2-butyl-6-[tert-butyl(dimethyl)silyl]oxyhex-1-enyl] acetate
CID 101380620
[(E)-2-methyl-5-tri(propan-2-yl)silyloxypent-1-enyl] acetate
CID 102408792
[(7Z)-5-methylidene-7-(trimethylsilylmethylidene)tridecyl] 2,2-dimethylpropanoate
CID 177555111

Frequently Asked Questions

What is the IUPAC name of [(E)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-1-enyl] acetate?
The IUPAC name of [(E)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-1-enyl] acetate (CID 101380619) is [(E)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-1-enyl] acetate.
What is the SMILES notation for [(E)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-1-enyl] acetate?
The canonical SMILES for [(E)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-1-enyl] acetate is CC/C(=C\OC(C)=O)CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(E)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-1-enyl] acetate?
The InChIKey is POBXTVINKLTOCA-FYWRMAATSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-8-15(13-18-14(2)17)11-9-10-12-19-20(6,7)16(3,4)5/h13H,8-12H2,1-7H3/b15-13+.
What are the key properties of [(E)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-1-enyl] acetate?
[(E)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-1-enyl] acetate has a molecular weight of 300.51 g/mol, XLogP of 5.04, 8 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]oxy-2-ethylhex-1-enyl] acetate is sourced from PubChem (CID 101380619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).