1-[tert-butyl(dimethyl)silyl]oxyhexan-3-one

C12H26O2Si — CID 58354548

IUPAC1-[tert-butyl(dimethyl)silyl]oxyhexan-3-one
SMILESCCCC(=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-7-8-11(13)9-10-14-15(5,6)12(2,3)4/h7-10H2,1-6H3
InChIKeyXBQPANOEZAITIW-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.77
Rot. Bonds6

About 1-[tert-butyl(dimethyl)silyl]oxyhexan-3-one

1-[tert-butyl(dimethyl)silyl]oxyhexan-3-one (PubChem CID 58354548) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxyhexan-3-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxyhexan-3-one
PubChem CID58354548
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxyhexan-3-one
SMILESCCCC(=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-7-8-11(13)9-10-14-15(5,6)12(2,3)4/h7-10H2,1-6H3
InChIKeyXBQPANOEZAITIW-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.77
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 1-[tert-butyl(dimethyl)silyl]oxyhexan-3-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxyhexan-3-one (CID 58354548) is 1-[tert-butyl(dimethyl)silyl]oxyhexan-3-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxyhexan-3-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxyhexan-3-one is CCCC(=O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxyhexan-3-one?
The InChIKey is XBQPANOEZAITIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-7-8-11(13)9-10-14-15(5,6)12(2,3)4/h7-10H2,1-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxyhexan-3-one?
1-[tert-butyl(dimethyl)silyl]oxyhexan-3-one has a molecular weight of 230.42 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxyhexan-3-one is sourced from PubChem (CID 58354548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).