11-[tert-butyl(dimethyl)silyl]oxytrideca-7,9-dien-6-one

C19H36O2Si — CID 173373978

IUPAC11-[tert-butyl(dimethyl)silyl]oxytrideca-7,9-dien-6-one
SMILESCCCCCC(=O)C=CC=CC(CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O2Si/c1-8-10-11-14-17(20)15-12-13-16-18(9-2)21-22(6,7)19(3,4)5/h12-13,15-16,18H,8-11,14H2,1-7H3
InChIKeyOAJRFTRASCCUCS-UHFFFAOYSA-N
MW324.58 g/mol
LogP6.05
Rot. Bonds10

About 11-[tert-butyl(dimethyl)silyl]oxytrideca-7,9-dien-6-one

11-[tert-butyl(dimethyl)silyl]oxytrideca-7,9-dien-6-one (PubChem CID 173373978) has the molecular formula C19H36O2Si and a molecular weight of 324.58 g/mol. Its IUPAC name is 11-[tert-butyl(dimethyl)silyl]oxytrideca-7,9-dien-6-one.

Molecular Properties

Compound Name11-[tert-butyl(dimethyl)silyl]oxytrideca-7,9-dien-6-one
PubChem CID173373978
Molecular FormulaC19H36O2Si
Molecular Weight324.58 g/mol
Exact Mass324.25
IUPAC Name11-[tert-butyl(dimethyl)silyl]oxytrideca-7,9-dien-6-one
SMILESCCCCCC(=O)C=CC=CC(CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O2Si/c1-8-10-11-14-17(20)15-12-13-16-18(9-2)21-22(6,7)19(3,4)5/h12-13,15-16,18H,8-11,14H2,1-7H3
InChIKeyOAJRFTRASCCUCS-UHFFFAOYSA-N
XLogP6.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(7E,9E)-henicosa-7,9-diene-6,11-dione
CID 56936226
4-[tert-butyl(dimethyl)silyl]oxyoct-2-enal
CID 71343055
ethyl (5S,8E,10E,12R)-5,12-bis[[tert-butyl(dimethyl)silyl]oxy]tetradeca-8,10-dien-6-ynoate
CID 58373585
tert-butyl-(1-iodooct-1-en-3-yloxy)-dimethylsilane
CID 53400857
ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
CID 56641063
(2S)-2-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 10490533
1-hydroxydeca-1,3-dien-5-one
CID 175523501
2-[tert-butyl(dimethyl)silyl]oxytridecanal
CID 170917454
tert-butyl-dimethyl-[(7E,9Z)-12-trimethylsilyldodeca-7,9-dien-11-yn-6-yl]oxysilane
CID 11024906
dodeca-2,4-dien-6-one
CID 71412707
methyl (11R,12E,14Z)-11-[tert-butyl(dimethyl)silyl]oxyicosa-12,14-dien-5,8-diynoate
CID 134976599
octadeca-2,4,6-trien-8-one
CID 154172928

Frequently Asked Questions

What is the IUPAC name of 11-[tert-butyl(dimethyl)silyl]oxytrideca-7,9-dien-6-one?
The IUPAC name of 11-[tert-butyl(dimethyl)silyl]oxytrideca-7,9-dien-6-one (CID 173373978) is 11-[tert-butyl(dimethyl)silyl]oxytrideca-7,9-dien-6-one.
What is the SMILES notation for 11-[tert-butyl(dimethyl)silyl]oxytrideca-7,9-dien-6-one?
The canonical SMILES for 11-[tert-butyl(dimethyl)silyl]oxytrideca-7,9-dien-6-one is CCCCCC(=O)C=CC=CC(CC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 11-[tert-butyl(dimethyl)silyl]oxytrideca-7,9-dien-6-one?
The InChIKey is OAJRFTRASCCUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2Si/c1-8-10-11-14-17(20)15-12-13-16-18(9-2)21-22(6,7)19(3,4)5/h12-13,15-16,18H,8-11,14H2,1-7H3.
What are the key properties of 11-[tert-butyl(dimethyl)silyl]oxytrideca-7,9-dien-6-one?
11-[tert-butyl(dimethyl)silyl]oxytrideca-7,9-dien-6-one has a molecular weight of 324.58 g/mol, XLogP of 6.05, 10 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]oxytrideca-7,9-dien-6-one is sourced from PubChem (CID 173373978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).