[(E)-2-methyl-5-tri(propan-2-yl)silyloxypent-1-enyl] acetate

C17H34O3Si — CID 102408792

IUPAC[(E)-2-methyl-5-tri(propan-2-yl)silyloxypent-1-enyl] acetate
SMILESCC(=O)O/C=C(\C)CCCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H34O3Si/c1-13(2)21(14(3)4,15(5)6)20-11-9-10-16(7)12-19-17(8)18/h12-15H,9-11H2,1-8H3/b16-12+
InChIKeyOICGJAHBBLUNHE-FOWTUZBSSA-N
MW314.54 g/mol
LogP5.43
Rot. Bonds9

About [(E)-2-methyl-5-tri(propan-2-yl)silyloxypent-1-enyl] acetate

[(E)-2-methyl-5-tri(propan-2-yl)silyloxypent-1-enyl] acetate (PubChem CID 102408792) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is [(E)-2-methyl-5-tri(propan-2-yl)silyloxypent-1-enyl] acetate.

Molecular Properties

Compound Name[(E)-2-methyl-5-tri(propan-2-yl)silyloxypent-1-enyl] acetate
PubChem CID102408792
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name[(E)-2-methyl-5-tri(propan-2-yl)silyloxypent-1-enyl] acetate
SMILESCC(=O)O/C=C(\C)CCCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H34O3Si/c1-13(2)21(14(3)4,15(5)6)20-11-9-10-16(7)12-19-17(8)18/h12-15H,9-11H2,1-8H3/b16-12+
InChIKeyOICGJAHBBLUNHE-FOWTUZBSSA-N
XLogP5.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.54
LogP ≤ 55.43
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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Frequently Asked Questions

What is the IUPAC name of [(E)-2-methyl-5-tri(propan-2-yl)silyloxypent-1-enyl] acetate?
The IUPAC name of [(E)-2-methyl-5-tri(propan-2-yl)silyloxypent-1-enyl] acetate (CID 102408792) is [(E)-2-methyl-5-tri(propan-2-yl)silyloxypent-1-enyl] acetate.
What is the SMILES notation for [(E)-2-methyl-5-tri(propan-2-yl)silyloxypent-1-enyl] acetate?
The canonical SMILES for [(E)-2-methyl-5-tri(propan-2-yl)silyloxypent-1-enyl] acetate is CC(=O)O/C=C(\C)CCCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(E)-2-methyl-5-tri(propan-2-yl)silyloxypent-1-enyl] acetate?
The InChIKey is OICGJAHBBLUNHE-FOWTUZBSSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-13(2)21(14(3)4,15(5)6)20-11-9-10-16(7)12-19-17(8)18/h12-15H,9-11H2,1-8H3/b16-12+.
What are the key properties of [(E)-2-methyl-5-tri(propan-2-yl)silyloxypent-1-enyl] acetate?
[(E)-2-methyl-5-tri(propan-2-yl)silyloxypent-1-enyl] acetate has a molecular weight of 314.54 g/mol, XLogP of 5.43, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-methyl-5-tri(propan-2-yl)silyloxypent-1-enyl] acetate is sourced from PubChem (CID 102408792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).