[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylhept-3-en-2-yl] acetate

C17H34O3Si — CID 10859995

IUPAC[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylhept-3-en-2-yl] acetate
SMILESCC(=O)OC(C)(C)/C=C/C(O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C17H34O3Si/c1-13(2)15(20-21(9,10)16(4,5)6)11-12-17(7,8)19-14(3)18/h11-13,15H,1-10H3/b12-11+
InChIKeyTXSCLPFJFQGPEV-VAWYXSNFSA-N
MW314.54 g/mol
LogP4.93
Rot. Bonds6

About [(E)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylhept-3-en-2-yl] acetate

[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylhept-3-en-2-yl] acetate (PubChem CID 10859995) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is [(E)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylhept-3-en-2-yl] acetate.

Molecular Properties

Compound Name[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylhept-3-en-2-yl] acetate
PubChem CID10859995
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylhept-3-en-2-yl] acetate
SMILESCC(=O)OC(C)(C)/C=C/C(O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C17H34O3Si/c1-13(2)15(20-21(9,10)16(4,5)6)11-12-17(7,8)19-14(3)18/h11-13,15H,1-10H3/b12-11+
InChIKeyTXSCLPFJFQGPEV-VAWYXSNFSA-N
XLogP4.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylhept-3-en-2-yl] acetate?
The IUPAC name of [(E)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylhept-3-en-2-yl] acetate (CID 10859995) is [(E)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylhept-3-en-2-yl] acetate.
What is the SMILES notation for [(E)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylhept-3-en-2-yl] acetate?
The canonical SMILES for [(E)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylhept-3-en-2-yl] acetate is CC(=O)OC(C)(C)/C=C/C(O[Si](C)(C)C(C)(C)C)C(C)C.
What is the InChIKey of [(E)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylhept-3-en-2-yl] acetate?
The InChIKey is TXSCLPFJFQGPEV-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-13(2)15(20-21(9,10)16(4,5)6)11-12-17(7,8)19-14(3)18/h11-13,15H,1-10H3/b12-11+.
What are the key properties of [(E)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylhept-3-en-2-yl] acetate?
[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylhept-3-en-2-yl] acetate has a molecular weight of 314.54 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylhept-3-en-2-yl] acetate is sourced from PubChem (CID 10859995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).