4-[tert-butyl(dimethyl)silyl]oxyoct-7-en-2-one

C14H28O2Si — CID 10377729

IUPAC4-[tert-butyl(dimethyl)silyl]oxyoct-7-en-2-one
SMILESC=CCCC(CC(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-8-9-10-13(11-12(2)15)16-17(6,7)14(3,4)5/h8,13H,1,9-11H2,2-7H3
InChIKeyGNECAYYFCNHPLH-UHFFFAOYSA-N
MW256.46 g/mol
LogP4.32
Rot. Bonds7

About 4-[tert-butyl(dimethyl)silyl]oxyoct-7-en-2-one

4-[tert-butyl(dimethyl)silyl]oxyoct-7-en-2-one (PubChem CID 10377729) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxyoct-7-en-2-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxyoct-7-en-2-one
PubChem CID10377729
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxyoct-7-en-2-one
SMILESC=CCCC(CC(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-8-9-10-13(11-12(2)15)16-17(6,7)14(3,4)5/h8,13H,1,9-11H2,2-7H3
InChIKeyGNECAYYFCNHPLH-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.32
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

(3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-one
CID 134857529
(5R)-5-[tert-butyl(dimethyl)silyl]oxydec-9-en-3-one
CID 134966731
(3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-one
CID 134970294
3-Triethylsilyloxyoct-7-en-2-one
CID 135036851
(7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-4-one
CID 135039795
(5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-one
CID 10171393
(3R)-3-[tert-butyl(dimethyl)silyl]oxyhept-6-enal
CID 11831613
(4R)-3,3-dimethyl-4-triethylsilyloxyhept-6-en-2-one
CID 53235638
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dideuteriohept-6-enal
CID 57609804
(R)-3-(Triethylsilyloxy)oct-7-enal
CID 59644075
3-Triethylsilyloxyoct-7-enal
CID 72346082
3-[Tert-butyl(dimethyl)silyl]oxyoct-6-enal
CID 73158354

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxyoct-7-en-2-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxyoct-7-en-2-one (CID 10377729) is 4-[tert-butyl(dimethyl)silyl]oxyoct-7-en-2-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxyoct-7-en-2-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxyoct-7-en-2-one is C=CCCC(CC(C)=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxyoct-7-en-2-one?
The InChIKey is GNECAYYFCNHPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-8-9-10-13(11-12(2)15)16-17(6,7)14(3,4)5/h8,13H,1,9-11H2,2-7H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxyoct-7-en-2-one?
4-[tert-butyl(dimethyl)silyl]oxyoct-7-en-2-one has a molecular weight of 256.46 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxyoct-7-en-2-one is sourced from PubChem (CID 10377729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).