11-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethylundeca-5,9-dien-2-one

C19H36O2Si — CID 54059848

IUPAC11-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethylundeca-5,9-dien-2-one
SMILESCC(=O)CCC=C(C)CCC=C(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O2Si/c1-16(12-10-14-18(3)20)11-9-13-17(2)15-21-22(7,8)19(4,5)6/h12-13H,9-11,14-15H2,1-8H3
InChIKeyLYWWXLJPRGRCSY-UHFFFAOYSA-N
MW324.58 g/mol
LogP6.05
Rot. Bonds9

About 11-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethylundeca-5,9-dien-2-one

11-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethylundeca-5,9-dien-2-one (PubChem CID 54059848) has the molecular formula C19H36O2Si and a molecular weight of 324.58 g/mol. Its IUPAC name is 11-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethylundeca-5,9-dien-2-one.

Molecular Properties

Compound Name11-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethylundeca-5,9-dien-2-one
PubChem CID54059848
Molecular FormulaC19H36O2Si
Molecular Weight324.58 g/mol
Exact Mass324.25
IUPAC Name11-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethylundeca-5,9-dien-2-one
SMILESCC(=O)CCC=C(C)CCC=C(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O2Si/c1-16(12-10-14-18(3)20)11-9-13-17(2)15-21-22(7,8)19(4,5)6/h12-13H,9-11,14-15H2,1-8H3
InChIKeyLYWWXLJPRGRCSY-UHFFFAOYSA-N
XLogP6.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.58
LogP ≤ 56.05
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

Geraniol, tert-butyldimethylsilyl ether
CID 6536899
Farnesol, tert-butyldimethylsilyl ether
CID 10337114
Silane, dimethyldi(trans-3,7-dimethyl-2,6-octadien-1-yloxy)-
CID 19045075
Nerol, tert-butyldimethylsilyl ether
CID 5366885
Geranylgeraniol, TBDMS derivative
CID 11112251
bis([(2Z)-3,7-Dimethylocta-2,6-dien-1-yl]oxy)(dimethyl)silane
CID 91697237
(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-5-en-2-one
CID 11096806
[(2E)-3,7-dimethylocta-2,6-dienoxy]-tri(propan-2-yl)silane
CID 11472396
(4E,8E,12E)-5,9-dimethyl-2-methylidene-14-tri(propan-2-yl)silyloxypentadeca-4,8,12,14-tetraenal
CID 11575596
(E,4R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-5-en-3-one
CID 16062352
(5E)-6,10-dimethyl-11-(trimethylsilyl)undeca-5,9-dien-2-one
CID 60147474
(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-en-3-one
CID 135080098

Frequently Asked Questions

What is the IUPAC name of 11-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethylundeca-5,9-dien-2-one?
The IUPAC name of 11-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethylundeca-5,9-dien-2-one (CID 54059848) is 11-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethylundeca-5,9-dien-2-one.
What is the SMILES notation for 11-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethylundeca-5,9-dien-2-one?
The canonical SMILES for 11-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethylundeca-5,9-dien-2-one is CC(=O)CCC=C(C)CCC=C(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 11-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethylundeca-5,9-dien-2-one?
The InChIKey is LYWWXLJPRGRCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2Si/c1-16(12-10-14-18(3)20)11-9-13-17(2)15-21-22(7,8)19(4,5)6/h12-13H,9-11,14-15H2,1-8H3.
What are the key properties of 11-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethylundeca-5,9-dien-2-one?
11-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethylundeca-5,9-dien-2-one has a molecular weight of 324.58 g/mol, XLogP of 6.05, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethylundeca-5,9-dien-2-one is sourced from PubChem (CID 54059848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).