4,4-dimethyl-1-trimethylsilylhexan-3-one

C11H24OSi — CID 58205907

IUPAC4,4-dimethyl-1-trimethylsilylhexan-3-one
SMILESCCC(C)(C)C(=O)CC[Si](C)(C)C
InChIInChI=1S/C11H24OSi/c1-7-11(2,3)10(12)8-9-13(4,5)6/h7-9H2,1-6H3
InChIKeyLLMPHHSIKOHVCQ-UHFFFAOYSA-N
MW200.40 g/mol
LogP3.72
Rot. Bonds5

About 4,4-dimethyl-1-trimethylsilylhexan-3-one

4,4-dimethyl-1-trimethylsilylhexan-3-one (PubChem CID 58205907) has the molecular formula C11H24OSi and a molecular weight of 200.40 g/mol. Its IUPAC name is 4,4-dimethyl-1-trimethylsilylhexan-3-one.

Molecular Properties

Compound Name4,4-dimethyl-1-trimethylsilylhexan-3-one
PubChem CID58205907
Molecular FormulaC11H24OSi
Molecular Weight200.40 g/mol
Exact Mass200.16
IUPAC Name4,4-dimethyl-1-trimethylsilylhexan-3-one
SMILESCCC(C)(C)C(=O)CC[Si](C)(C)C
InChIInChI=1S/C11H24OSi/c1-7-11(2,3)10(12)8-9-13(4,5)6/h7-9H2,1-6H3
InChIKeyLLMPHHSIKOHVCQ-UHFFFAOYSA-N
XLogP3.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.40
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-1-trimethylsilylhexan-3-one?
The IUPAC name of 4,4-dimethyl-1-trimethylsilylhexan-3-one (CID 58205907) is 4,4-dimethyl-1-trimethylsilylhexan-3-one.
What is the SMILES notation for 4,4-dimethyl-1-trimethylsilylhexan-3-one?
The canonical SMILES for 4,4-dimethyl-1-trimethylsilylhexan-3-one is CCC(C)(C)C(=O)CC[Si](C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-trimethylsilylhexan-3-one?
The InChIKey is LLMPHHSIKOHVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24OSi/c1-7-11(2,3)10(12)8-9-13(4,5)6/h7-9H2,1-6H3.
What are the key properties of 4,4-dimethyl-1-trimethylsilylhexan-3-one?
4,4-dimethyl-1-trimethylsilylhexan-3-one has a molecular weight of 200.40 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-trimethylsilylhexan-3-one is sourced from PubChem (CID 58205907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).