6-[tert-butyl(dimethyl)silyl]oxydodec-1-en-5-one

C18H36O2Si — CID 10245032

IUPAC6-[tert-butyl(dimethyl)silyl]oxydodec-1-en-5-one
SMILESC=CCCC(=O)C(CCCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O2Si/c1-8-10-12-13-15-17(16(19)14-11-9-2)20-21(6,7)18(3,4)5/h9,17H,2,8,10-15H2,1,3-7H3
InChIKeyINKFAWOWOSBPFP-UHFFFAOYSA-N
MW312.57 g/mol
LogP5.88
Rot. Bonds11

About 6-[tert-butyl(dimethyl)silyl]oxydodec-1-en-5-one

6-[tert-butyl(dimethyl)silyl]oxydodec-1-en-5-one (PubChem CID 10245032) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxydodec-1-en-5-one.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxydodec-1-en-5-one
PubChem CID10245032
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxydodec-1-en-5-one
SMILESC=CCCC(=O)C(CCCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O2Si/c1-8-10-12-13-15-17(16(19)14-11-9-2)20-21(6,7)18(3,4)5/h9,17H,2,8,10-15H2,1,3-7H3
InChIKeyINKFAWOWOSBPFP-UHFFFAOYSA-N
XLogP5.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.88
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

9-Tri(propan-2-yl)silyloxynon-1-en-5-one
CID 91062407
(E)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyltridec-3-en-7-one
CID 102321146
(5R)-5-[tert-butyl(dimethyl)silyl]oxydec-9-en-3-one
CID 134966731
3-Triethylsilyloxyoct-7-en-2-one
CID 135036851
4-[Tert-butyl(dimethyl)silyl]oxynon-1-en-3-one
CID 135079241
10-[Tert-butyl(dimethyl)silyl]oxyundec-1-en-6-one
CID 11324012
methyl (9R,12Z,15Z)-9-[tert-butyl(dimethyl)silyl]oxy-10-oxooctadeca-12,15-dienoate
CID 88093056
methyl (12Z,15Z)-9-[tert-butyl(dimethyl)silyl]oxy-10-oxooctadeca-12,15-dienoate
CID 88093210
(12Z,15Z)-4-[tert-butyl(dimethyl)silyl]oxyhenicosa-12,15-dien-2-one
CID 89431987
Methyl 9-[tert-butyl(dimethyl)silyl]oxy-10-oxooctadeca-12,15-dienoate
CID 91020664
methyl (9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-oxooctadeca-12,15-dienoate
CID 91602518
(19Z,22R)-22-{[tert-butyl(dimethyl)silyl]oxy}octacos-19-en-11-one
CID 131749544

Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxydodec-1-en-5-one?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxydodec-1-en-5-one (CID 10245032) is 6-[tert-butyl(dimethyl)silyl]oxydodec-1-en-5-one.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxydodec-1-en-5-one?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxydodec-1-en-5-one is C=CCCC(=O)C(CCCCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxydodec-1-en-5-one?
The InChIKey is INKFAWOWOSBPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-8-10-12-13-15-17(16(19)14-11-9-2)20-21(6,7)18(3,4)5/h9,17H,2,8,10-15H2,1,3-7H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxydodec-1-en-5-one?
6-[tert-butyl(dimethyl)silyl]oxydodec-1-en-5-one has a molecular weight of 312.57 g/mol, XLogP of 5.88, 11 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]oxydodec-1-en-5-one is sourced from PubChem (CID 10245032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).