2-methyl-4-methylidene-6-tri(propan-2-yl)silyloxyhexan-3-one

C17H34O2Si — CID 101029082

IUPAC2-methyl-4-methylidene-6-tri(propan-2-yl)silyloxyhexan-3-one
SMILESC=C(CCO[Si](C(C)C)(C(C)C)C(C)C)C(=O)C(C)C
InChIInChI=1S/C17H34O2Si/c1-12(2)17(18)16(9)10-11-19-20(13(3)4,14(5)6)15(7)8/h12-15H,9-11H2,1-8H3
InChIKeyDFQVCBHZTCQAAG-UHFFFAOYSA-N
MW298.54 g/mol
LogP5.35
Rot. Bonds9

About 2-methyl-4-methylidene-6-tri(propan-2-yl)silyloxyhexan-3-one

2-methyl-4-methylidene-6-tri(propan-2-yl)silyloxyhexan-3-one (PubChem CID 101029082) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is 2-methyl-4-methylidene-6-tri(propan-2-yl)silyloxyhexan-3-one.

Molecular Properties

Compound Name2-methyl-4-methylidene-6-tri(propan-2-yl)silyloxyhexan-3-one
PubChem CID101029082
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name2-methyl-4-methylidene-6-tri(propan-2-yl)silyloxyhexan-3-one
SMILESC=C(CCO[Si](C(C)C)(C(C)C)C(C)C)C(=O)C(C)C
InChIInChI=1S/C17H34O2Si/c1-12(2)17(18)16(9)10-11-19-20(13(3)4,14(5)6)15(7)8/h12-15H,9-11H2,1-8H3
InChIKeyDFQVCBHZTCQAAG-UHFFFAOYSA-N
XLogP5.35
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 ≤ 55.35
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 2-methyl-4-methylidene-6-tri(propan-2-yl)silyloxyhexan-3-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 2-methyl-4-methylidene-6-tri(propan-2-yl)silyloxyhexan-3-one?
The IUPAC name of 2-methyl-4-methylidene-6-tri(propan-2-yl)silyloxyhexan-3-one (CID 101029082) is 2-methyl-4-methylidene-6-tri(propan-2-yl)silyloxyhexan-3-one.
What is the SMILES notation for 2-methyl-4-methylidene-6-tri(propan-2-yl)silyloxyhexan-3-one?
The canonical SMILES for 2-methyl-4-methylidene-6-tri(propan-2-yl)silyloxyhexan-3-one is C=C(CCO[Si](C(C)C)(C(C)C)C(C)C)C(=O)C(C)C.
What is the InChIKey of 2-methyl-4-methylidene-6-tri(propan-2-yl)silyloxyhexan-3-one?
The InChIKey is DFQVCBHZTCQAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-12(2)17(18)16(9)10-11-19-20(13(3)4,14(5)6)15(7)8/h12-15H,9-11H2,1-8H3.
What are the key properties of 2-methyl-4-methylidene-6-tri(propan-2-yl)silyloxyhexan-3-one?
2-methyl-4-methylidene-6-tri(propan-2-yl)silyloxyhexan-3-one has a molecular weight of 298.54 g/mol, XLogP of 5.35, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylidene-6-tri(propan-2-yl)silyloxyhexan-3-one is sourced from PubChem (CID 101029082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).