(E)-5-tri(propan-2-yl)silyloxypent-3-en-2-one

C14H28O2Si — CID 58510363

IUPAC(E)-5-tri(propan-2-yl)silyloxypent-3-en-2-one
SMILESCC(=O)/C=C/CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H28O2Si/c1-11(2)17(12(3)4,13(5)6)16-10-8-9-14(7)15/h8-9,11-13H,10H2,1-7H3/b9-8+
InChIKeyNGWGUSCKGVKZNU-CMDGGOBGSA-N
MW256.46 g/mol
LogP4.32
Rot. Bonds7

About (E)-5-tri(propan-2-yl)silyloxypent-3-en-2-one

(E)-5-tri(propan-2-yl)silyloxypent-3-en-2-one (PubChem CID 58510363) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is (E)-5-tri(propan-2-yl)silyloxypent-3-en-2-one.

Molecular Properties

Compound Name(E)-5-tri(propan-2-yl)silyloxypent-3-en-2-one
PubChem CID58510363
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name(E)-5-tri(propan-2-yl)silyloxypent-3-en-2-one
SMILESCC(=O)/C=C/CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H28O2Si/c1-11(2)17(12(3)4,13(5)6)16-10-8-9-14(7)15/h8-9,11-13H,10H2,1-7H3/b9-8+
InChIKeyNGWGUSCKGVKZNU-CMDGGOBGSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-5-tri(propan-2-yl)silyloxypent-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-5-tri(propan-2-yl)silyloxypent-3-en-2-one?
The IUPAC name of (E)-5-tri(propan-2-yl)silyloxypent-3-en-2-one (CID 58510363) is (E)-5-tri(propan-2-yl)silyloxypent-3-en-2-one.
What is the SMILES notation for (E)-5-tri(propan-2-yl)silyloxypent-3-en-2-one?
The canonical SMILES for (E)-5-tri(propan-2-yl)silyloxypent-3-en-2-one is CC(=O)/C=C/CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (E)-5-tri(propan-2-yl)silyloxypent-3-en-2-one?
The InChIKey is NGWGUSCKGVKZNU-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-11(2)17(12(3)4,13(5)6)16-10-8-9-14(7)15/h8-9,11-13H,10H2,1-7H3/b9-8+.
What are the key properties of (E)-5-tri(propan-2-yl)silyloxypent-3-en-2-one?
(E)-5-tri(propan-2-yl)silyloxypent-3-en-2-one has a molecular weight of 256.46 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-tri(propan-2-yl)silyloxypent-3-en-2-one is sourced from PubChem (CID 58510363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).