4,4-dimethyl-6-tri(propan-2-yl)silyloxyhexan-2-one

C17H36O2Si — CID 162397609

IUPAC4,4-dimethyl-6-tri(propan-2-yl)silyloxyhexan-2-one
SMILESCC(=O)CC(C)(C)CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H36O2Si/c1-13(2)20(14(3)4,15(5)6)19-11-10-17(8,9)12-16(7)18/h13-15H,10-12H2,1-9H3
InChIKeySJLMTTLTAQOEJR-UHFFFAOYSA-N
MW300.56 g/mol
LogP5.57
Rot. Bonds9

About 4,4-dimethyl-6-tri(propan-2-yl)silyloxyhexan-2-one

4,4-dimethyl-6-tri(propan-2-yl)silyloxyhexan-2-one (PubChem CID 162397609) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is 4,4-dimethyl-6-tri(propan-2-yl)silyloxyhexan-2-one.

Molecular Properties

Compound Name4,4-dimethyl-6-tri(propan-2-yl)silyloxyhexan-2-one
PubChem CID162397609
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Name4,4-dimethyl-6-tri(propan-2-yl)silyloxyhexan-2-one
SMILESCC(=O)CC(C)(C)CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H36O2Si/c1-13(2)20(14(3)4,15(5)6)19-11-10-17(8,9)12-16(7)18/h13-15H,10-12H2,1-9H3
InChIKeySJLMTTLTAQOEJR-UHFFFAOYSA-N
XLogP5.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-tri(propan-2-yl)silyloxyhexan-2-one?
The IUPAC name of 4,4-dimethyl-6-tri(propan-2-yl)silyloxyhexan-2-one (CID 162397609) is 4,4-dimethyl-6-tri(propan-2-yl)silyloxyhexan-2-one.
What is the SMILES notation for 4,4-dimethyl-6-tri(propan-2-yl)silyloxyhexan-2-one?
The canonical SMILES for 4,4-dimethyl-6-tri(propan-2-yl)silyloxyhexan-2-one is CC(=O)CC(C)(C)CCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 4,4-dimethyl-6-tri(propan-2-yl)silyloxyhexan-2-one?
The InChIKey is SJLMTTLTAQOEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2Si/c1-13(2)20(14(3)4,15(5)6)19-11-10-17(8,9)12-16(7)18/h13-15H,10-12H2,1-9H3.
What are the key properties of 4,4-dimethyl-6-tri(propan-2-yl)silyloxyhexan-2-one?
4,4-dimethyl-6-tri(propan-2-yl)silyloxyhexan-2-one has a molecular weight of 300.56 g/mol, XLogP of 5.57, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-tri(propan-2-yl)silyloxyhexan-2-one is sourced from PubChem (CID 162397609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).