[(E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enyl] acetate

C15H30O3Si — CID 10935058

IUPAC[(E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enyl] acetate
SMILESCC(=O)OC/C=C(\C)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-13(10-12-17-14(2)16)9-8-11-18-19(6,7)15(3,4)5/h10H,8-9,11-12H2,1-7H3/b13-10+
InChIKeyHNWGDUHSOZYYOB-JLHYYAGUSA-N
MW286.49 g/mol
LogP4.30
Rot. Bonds7

About [(E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enyl] acetate

[(E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enyl] acetate (PubChem CID 10935058) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is [(E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enyl] acetate
PubChem CID10935058
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name[(E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enyl] acetate
SMILESCC(=O)OC/C=C(\C)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-13(10-12-17-14(2)16)9-8-11-18-19(6,7)15(3,4)5/h10H,8-9,11-12H2,1-7H3/b13-10+
InChIKeyHNWGDUHSOZYYOB-JLHYYAGUSA-N
XLogP4.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [(E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enyl] acetate?
The IUPAC name of [(E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enyl] acetate (CID 10935058) is [(E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enyl] acetate.
What is the SMILES notation for [(E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enyl] acetate?
The canonical SMILES for [(E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enyl] acetate is CC(=O)OC/C=C(\C)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enyl] acetate?
The InChIKey is HNWGDUHSOZYYOB-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-13(10-12-17-14(2)16)9-8-11-18-19(6,7)15(3,4)5/h10H,8-9,11-12H2,1-7H3/b13-10+.
What are the key properties of [(E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enyl] acetate?
[(E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enyl] acetate has a molecular weight of 286.49 g/mol, XLogP of 4.30, 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]oxy-3-methylhex-2-enyl] acetate is sourced from PubChem (CID 10935058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).