6-[tert-butyl(dimethyl)silyl]oxyhexan-2-one

C12H26O2Si — CID 10922346

IUPAC6-[tert-butyl(dimethyl)silyl]oxyhexan-2-one
SMILESCC(=O)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-11(13)9-7-8-10-14-15(5,6)12(2,3)4/h7-10H2,1-6H3
InChIKeyYUFRIBDLMRZBAB-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.77
Rot. Bonds6

About 6-[tert-butyl(dimethyl)silyl]oxyhexan-2-one

6-[tert-butyl(dimethyl)silyl]oxyhexan-2-one (PubChem CID 10922346) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxyhexan-2-one.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxyhexan-2-one
PubChem CID10922346
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxyhexan-2-one
SMILESCC(=O)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-11(13)9-7-8-10-14-15(5,6)12(2,3)4/h7-10H2,1-6H3
InChIKeyYUFRIBDLMRZBAB-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': '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-[tert-butyl(dimethyl)silyl]oxyhexan-2-one?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxyhexan-2-one (CID 10922346) is 6-[tert-butyl(dimethyl)silyl]oxyhexan-2-one.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxyhexan-2-one?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxyhexan-2-one is CC(=O)CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxyhexan-2-one?
The InChIKey is YUFRIBDLMRZBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-11(13)9-7-8-10-14-15(5,6)12(2,3)4/h7-10H2,1-6H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxyhexan-2-one?
6-[tert-butyl(dimethyl)silyl]oxyhexan-2-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 6-[tert-butyl(dimethyl)silyl]oxyhexan-2-one is sourced from PubChem (CID 10922346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).