1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-one

C12H24O2Si — CID 10561359

IUPAC1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-one
SMILESC=CCCC(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-7-8-9-11(13)10-14-15(5,6)12(2,3)4/h7H,1,8-10H2,2-6H3
InChIKeySIGWGFBWYBOZQB-UHFFFAOYSA-N
MW228.41 g/mol
LogP3.54
Rot. Bonds6

About 1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-one

1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-one (PubChem CID 10561359) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-one
PubChem CID10561359
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-one
SMILESC=CCCC(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-7-8-9-11(13)10-14-15(5,6)12(2,3)4/h7H,1,8-10H2,2-6H3
InChIKeySIGWGFBWYBOZQB-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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-[(Tert-butyldimethylsilyl)oxy]hex-1-en-3-one
CID 14891413
(2R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-enal
CID 134967854
2-[Tert-butyl(dimethyl)silyl]oxyhept-6-enal
CID 135036802
3-Triethylsilyloxyoct-7-en-2-one
CID 135036851
5-Hexen-2-one, 1-methoxy-3-[(trimethylsilyl)methylene]-
CID 5366348
3-Trimethylsilyloxyhept-1-ene-1,4-dione
CID 140333684
(3Z)-1-methoxy-3-(trimethylsilylmethylidene)hex-5-en-2-one
CID 21160047
(4R)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-one
CID 25259474
7-[Tert-butyl(dimethyl)silyl]oxyhepta-1,2-dien-4-one
CID 44208494
1-[Tert-butyl(dimethyl)silyl]oxy-3,5-dimethylocta-3,4,7-trien-2-one
CID 51354688
2-Methyl-2-[(trimethylsilyl)oxy]hept-6-en-3-one
CID 71320509
(E)-1-[tert-butyl(dimethyl)silyl]oxynon-4-en-2-one
CID 101576959

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-one (CID 10561359) is 1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-one is C=CCCC(=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-one?
The InChIKey is SIGWGFBWYBOZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-7-8-9-11(13)10-14-15(5,6)12(2,3)4/h7H,1,8-10H2,2-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-one?
1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-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 1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-one is sourced from PubChem (CID 10561359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).