(3E)-3-[tri(propan-2-yl)silyloxymethylidene]heptan-2-one

C17H34O2Si — CID 102401544

IUPAC(3E)-3-[tri(propan-2-yl)silyloxymethylidene]heptan-2-one
SMILESCCCC/C(=C\O[Si](C(C)C)(C(C)C)C(C)C)C(C)=O
InChIInChI=1S/C17H34O2Si/c1-9-10-11-17(16(8)18)12-19-20(13(2)3,14(4)5)15(6)7/h12-15H,9-11H2,1-8H3/b17-12+
InChIKeyPLLFJXMFFSYDKD-SFQUDFHCSA-N
MW298.54 g/mol
LogP5.84
Rot. Bonds9

About (3E)-3-[tri(propan-2-yl)silyloxymethylidene]heptan-2-one

(3E)-3-[tri(propan-2-yl)silyloxymethylidene]heptan-2-one (PubChem CID 102401544) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is (3E)-3-[tri(propan-2-yl)silyloxymethylidene]heptan-2-one.

Molecular Properties

Compound Name(3E)-3-[tri(propan-2-yl)silyloxymethylidene]heptan-2-one
PubChem CID102401544
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name(3E)-3-[tri(propan-2-yl)silyloxymethylidene]heptan-2-one
SMILESCCCC/C(=C\O[Si](C(C)C)(C(C)C)C(C)C)C(C)=O
InChIInChI=1S/C17H34O2Si/c1-9-10-11-17(16(8)18)12-19-20(13(2)3,14(4)5)15(6)7/h12-15H,9-11H2,1-8H3/b17-12+
InChIKeyPLLFJXMFFSYDKD-SFQUDFHCSA-N
XLogP5.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3E)-3-[tri(propan-2-yl)silyloxymethylidene]heptan-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 (3E)-3-[tri(propan-2-yl)silyloxymethylidene]heptan-2-one?
The IUPAC name of (3E)-3-[tri(propan-2-yl)silyloxymethylidene]heptan-2-one (CID 102401544) is (3E)-3-[tri(propan-2-yl)silyloxymethylidene]heptan-2-one.
What is the SMILES notation for (3E)-3-[tri(propan-2-yl)silyloxymethylidene]heptan-2-one?
The canonical SMILES for (3E)-3-[tri(propan-2-yl)silyloxymethylidene]heptan-2-one is CCCC/C(=C\O[Si](C(C)C)(C(C)C)C(C)C)C(C)=O.
What is the InChIKey of (3E)-3-[tri(propan-2-yl)silyloxymethylidene]heptan-2-one?
The InChIKey is PLLFJXMFFSYDKD-SFQUDFHCSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-9-10-11-17(16(8)18)12-19-20(13(2)3,14(4)5)15(6)7/h12-15H,9-11H2,1-8H3/b17-12+.
What are the key properties of (3E)-3-[tri(propan-2-yl)silyloxymethylidene]heptan-2-one?
(3E)-3-[tri(propan-2-yl)silyloxymethylidene]heptan-2-one has a molecular weight of 298.54 g/mol, XLogP of 5.84, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[tri(propan-2-yl)silyloxymethylidene]heptan-2-one is sourced from PubChem (CID 102401544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).