6-[chloro-phenyl-(3-trimethylsilylpropyl)silyl]hexan-2-one

C18H31ClOSi2 — CID 166636971

IUPAC6-[chloro-phenyl-(3-trimethylsilylpropyl)silyl]hexan-2-one
SMILESCC(=O)CCCC[Si](Cl)(CCC[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C18H31ClOSi2/c1-17(20)11-8-9-15-22(19,16-10-14-21(2,3)4)18-12-6-5-7-13-18/h5-7,12-13H,8-11,14-16H2,1-4H3
InChIKeyMFOWSFWHXSJIDN-UHFFFAOYSA-N
MW355.07 g/mol
LogP5.57
Rot. Bonds10

About 6-[chloro-phenyl-(3-trimethylsilylpropyl)silyl]hexan-2-one

6-[chloro-phenyl-(3-trimethylsilylpropyl)silyl]hexan-2-one (PubChem CID 166636971) has the molecular formula C18H31ClOSi2 and a molecular weight of 355.07 g/mol. Its IUPAC name is 6-[chloro-phenyl-(3-trimethylsilylpropyl)silyl]hexan-2-one.

Molecular Properties

Compound Name6-[chloro-phenyl-(3-trimethylsilylpropyl)silyl]hexan-2-one
PubChem CID166636971
Molecular FormulaC18H31ClOSi2
Molecular Weight355.07 g/mol
Exact Mass354.16
IUPAC Name6-[chloro-phenyl-(3-trimethylsilylpropyl)silyl]hexan-2-one
SMILESCC(=O)CCCC[Si](Cl)(CCC[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C18H31ClOSi2/c1-17(20)11-8-9-15-22(19,16-10-14-21(2,3)4)18-12-6-5-7-13-18/h5-7,12-13H,8-11,14-16H2,1-4H3
InChIKeyMFOWSFWHXSJIDN-UHFFFAOYSA-N
XLogP5.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.07
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[chloro-phenyl-(3-trimethylsilylpropyl)silyl]hexan-2-one?
The IUPAC name of 6-[chloro-phenyl-(3-trimethylsilylpropyl)silyl]hexan-2-one (CID 166636971) is 6-[chloro-phenyl-(3-trimethylsilylpropyl)silyl]hexan-2-one.
What is the SMILES notation for 6-[chloro-phenyl-(3-trimethylsilylpropyl)silyl]hexan-2-one?
The canonical SMILES for 6-[chloro-phenyl-(3-trimethylsilylpropyl)silyl]hexan-2-one is CC(=O)CCCC[Si](Cl)(CCC[Si](C)(C)C)c1ccccc1.
What is the InChIKey of 6-[chloro-phenyl-(3-trimethylsilylpropyl)silyl]hexan-2-one?
The InChIKey is MFOWSFWHXSJIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31ClOSi2/c1-17(20)11-8-9-15-22(19,16-10-14-21(2,3)4)18-12-6-5-7-13-18/h5-7,12-13H,8-11,14-16H2,1-4H3.
What are the key properties of 6-[chloro-phenyl-(3-trimethylsilylpropyl)silyl]hexan-2-one?
6-[chloro-phenyl-(3-trimethylsilylpropyl)silyl]hexan-2-one has a molecular weight of 355.07 g/mol, XLogP of 5.57, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro-phenyl-(3-trimethylsilylpropyl)silyl]hexan-2-one is sourced from PubChem (CID 166636971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).