6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-one

C12H24O2Si — CID 14891413

IUPAC6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-one
SMILESC=CC(=O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-7-11(13)9-8-10-14-15(5,6)12(2,3)4/h7H,1,8-10H2,2-6H3
InChIKeyRRQWSJPSTDLGED-UHFFFAOYSA-N
MW228.41 g/mol
LogP3.54
Rot. Bonds6

About 6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-one

6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-one (PubChem CID 14891413) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-one.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-one
PubChem CID14891413
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-one
SMILESC=CC(=O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-7-11(13)9-8-10-14-15(5,6)12(2,3)4/h7H,1,8-10H2,2-6H3
InChIKeyRRQWSJPSTDLGED-UHFFFAOYSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.54
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-one?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-one (CID 14891413) is 6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-one.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-one?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-one is C=CC(=O)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-one?
The InChIKey is RRQWSJPSTDLGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-7-11(13)9-8-10-14-15(5,6)12(2,3)4/h7H,1,8-10H2,2-6H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-one?
6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-one has a molecular weight of 228.41 g/mol, XLogP of 3.54, 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]oxyhex-1-en-3-one is sourced from PubChem (CID 14891413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).