8-tri(propan-2-yl)silyloxyoct-4-en-2-one

C17H34O2Si — CID 162401338

IUPAC8-tri(propan-2-yl)silyloxyoct-4-en-2-one
SMILESCC(=O)CC=CCCCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H34O2Si/c1-14(2)20(15(3)4,16(5)6)19-13-11-9-8-10-12-17(7)18/h8,10,14-16H,9,11-13H2,1-7H3
InChIKeyJGIVGXSLITXUEN-UHFFFAOYSA-N
MW298.54 g/mol
LogP5.49
Rot. Bonds10

About 8-tri(propan-2-yl)silyloxyoct-4-en-2-one

8-tri(propan-2-yl)silyloxyoct-4-en-2-one (PubChem CID 162401338) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is 8-tri(propan-2-yl)silyloxyoct-4-en-2-one.

Molecular Properties

Compound Name8-tri(propan-2-yl)silyloxyoct-4-en-2-one
PubChem CID162401338
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name8-tri(propan-2-yl)silyloxyoct-4-en-2-one
SMILESCC(=O)CC=CCCCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H34O2Si/c1-14(2)20(15(3)4,16(5)6)19-13-11-9-8-10-12-17(7)18/h8,10,14-16H,9,11-13H2,1-7H3
InChIKeyJGIVGXSLITXUEN-UHFFFAOYSA-N
XLogP5.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 8-tri(propan-2-yl)silyloxyoct-4-en-2-one?
The IUPAC name of 8-tri(propan-2-yl)silyloxyoct-4-en-2-one (CID 162401338) is 8-tri(propan-2-yl)silyloxyoct-4-en-2-one.
What is the SMILES notation for 8-tri(propan-2-yl)silyloxyoct-4-en-2-one?
The canonical SMILES for 8-tri(propan-2-yl)silyloxyoct-4-en-2-one is CC(=O)CC=CCCCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 8-tri(propan-2-yl)silyloxyoct-4-en-2-one?
The InChIKey is JGIVGXSLITXUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-14(2)20(15(3)4,16(5)6)19-13-11-9-8-10-12-17(7)18/h8,10,14-16H,9,11-13H2,1-7H3.
What are the key properties of 8-tri(propan-2-yl)silyloxyoct-4-en-2-one?
8-tri(propan-2-yl)silyloxyoct-4-en-2-one has a molecular weight of 298.54 g/mol, XLogP of 5.49, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tri(propan-2-yl)silyloxyoct-4-en-2-one is sourced from PubChem (CID 162401338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).