3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one

C16H30O2Si — CID 75104680

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one
SMILESC=CCC(C)=CCC(O[Si](C)(C)C(C)(C)C)C(C)=O
InChIInChI=1S/C16H30O2Si/c1-9-10-13(2)11-12-15(14(3)17)18-19(7,8)16(4,5)6/h9,11,15H,1,10,12H2,2-8H3
InChIKeyUALYBMPOACSOSN-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.88
Rot. Bonds7

About 3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one

3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one (PubChem CID 75104680) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one
PubChem CID75104680
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one
SMILESC=CCC(C)=CCC(O[Si](C)(C)C(C)(C)C)C(C)=O
InChIInChI=1S/C16H30O2Si/c1-9-10-13(2)11-12-15(14(3)17)18-19(7,8)16(4,5)6/h9,11,15H,1,10,12H2,2-8H3
InChIKeyUALYBMPOACSOSN-UHFFFAOYSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.88
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'}

Analyze 3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,5E)-3-triethylsilyloxy-6-(trifluoromethyl)nona-5,8-dien-2-one
CID 88274401
(3S,5E)-3-triethylsilyloxy-6-(trifluoromethyl)octa-5,7-dien-2-one
CID 88566435
(3S,5Z)-3-triethylsilyloxy-6-(trifluoromethyl)octa-5,7-dien-2-one
CID 140537693
(Z,2S)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal
CID 10636838
(6S)-2,9-dimethyl-6-triethylsilyloxydeca-2,8-dien-5-one
CID 102401926
(Z)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal
CID 134895328
(E,3S)-6-bromo-3-tri(propan-2-yl)silyloxyhept-5-en-2-one
CID 146162998
(6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-one
CID 155933052
(Z,3S)-6-iodo-3-triethylsilyloxyhept-5-en-2-one
CID 11233977
5-[Tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 13057933
(S,Z)-3-((tert-butyl)dimethylsiloxy)-6-methylnona-5,8-dien-2-one
CID 45258940
(2R)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal
CID 54381278

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one (CID 75104680) is 3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one is C=CCC(C)=CCC(O[Si](C)(C)C(C)(C)C)C(C)=O.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one?
The InChIKey is UALYBMPOACSOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-9-10-13(2)11-12-15(14(3)17)18-19(7,8)16(4,5)6/h9,11,15H,1,10,12H2,2-8H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one?
3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one has a molecular weight of 282.50 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one is sourced from PubChem (CID 75104680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).