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

C18H32OSi2 — CID 172756436

IUPAC6-[phenyl(3-trimethylsilylpropyl)silyl]hexan-2-one
SMILESCC(=O)CCCC[SiH](CCC[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C18H32OSi2/c1-17(19)11-8-9-14-20(15-10-16-21(2,3)4)18-12-6-5-7-13-18/h5-7,12-13,20H,8-11,14-16H2,1-4H3
InChIKeyLBWGJFWKZVMPAZ-UHFFFAOYSA-N
MW320.62 g/mol
LogP4.61
Rot. Bonds10

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

6-[phenyl(3-trimethylsilylpropyl)silyl]hexan-2-one (PubChem CID 172756436) has the molecular formula C18H32OSi2 and a molecular weight of 320.62 g/mol. Its IUPAC name is 6-[phenyl(3-trimethylsilylpropyl)silyl]hexan-2-one.

Molecular Properties

Compound Name6-[phenyl(3-trimethylsilylpropyl)silyl]hexan-2-one
PubChem CID172756436
Molecular FormulaC18H32OSi2
Molecular Weight320.62 g/mol
Exact Mass320.20
IUPAC Name6-[phenyl(3-trimethylsilylpropyl)silyl]hexan-2-one
SMILESCC(=O)CCCC[SiH](CCC[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C18H32OSi2/c1-17(19)11-8-9-14-20(15-10-16-21(2,3)4)18-12-6-5-7-13-18/h5-7,12-13,20H,8-11,14-16H2,1-4H3
InChIKeyLBWGJFWKZVMPAZ-UHFFFAOYSA-N
XLogP4.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.62
LogP ≤ 54.61
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'}

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Frequently Asked Questions

What is the IUPAC name of 6-[phenyl(3-trimethylsilylpropyl)silyl]hexan-2-one?
The IUPAC name of 6-[phenyl(3-trimethylsilylpropyl)silyl]hexan-2-one (CID 172756436) is 6-[phenyl(3-trimethylsilylpropyl)silyl]hexan-2-one.
What is the SMILES notation for 6-[phenyl(3-trimethylsilylpropyl)silyl]hexan-2-one?
The canonical SMILES for 6-[phenyl(3-trimethylsilylpropyl)silyl]hexan-2-one is CC(=O)CCCC[SiH](CCC[Si](C)(C)C)c1ccccc1.
What is the InChIKey of 6-[phenyl(3-trimethylsilylpropyl)silyl]hexan-2-one?
The InChIKey is LBWGJFWKZVMPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32OSi2/c1-17(19)11-8-9-14-20(15-10-16-21(2,3)4)18-12-6-5-7-13-18/h5-7,12-13,20H,8-11,14-16H2,1-4H3.
What are the key properties of 6-[phenyl(3-trimethylsilylpropyl)silyl]hexan-2-one?
6-[phenyl(3-trimethylsilylpropyl)silyl]hexan-2-one has a molecular weight of 320.62 g/mol, XLogP of 4.61, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[phenyl(3-trimethylsilylpropyl)silyl]hexan-2-one is sourced from PubChem (CID 172756436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).