7-[tert-butyl(dimethyl)silyl]oxy-2,8,8-trimethylundec-10-en-4-yn-3-one

C20H36O2Si — CID 11131517

IUPAC7-[tert-butyl(dimethyl)silyl]oxy-2,8,8-trimethylundec-10-en-4-yn-3-one
SMILESC=CCC(C)(C)C(CC#CC(=O)C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O2Si/c1-11-15-20(7,8)18(14-12-13-17(21)16(2)3)22-23(9,10)19(4,5)6/h11,16,18H,1,14-15H2,2-10H3
InChIKeyAORMGNHTRVZQHF-UHFFFAOYSA-N
MW336.59 g/mol
LogP5.60
Rot. Bonds7

About 7-[tert-butyl(dimethyl)silyl]oxy-2,8,8-trimethylundec-10-en-4-yn-3-one

7-[tert-butyl(dimethyl)silyl]oxy-2,8,8-trimethylundec-10-en-4-yn-3-one (PubChem CID 11131517) has the molecular formula C20H36O2Si and a molecular weight of 336.59 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxy-2,8,8-trimethylundec-10-en-4-yn-3-one.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]oxy-2,8,8-trimethylundec-10-en-4-yn-3-one
PubChem CID11131517
Molecular FormulaC20H36O2Si
Molecular Weight336.59 g/mol
Exact Mass336.25
IUPAC Name7-[tert-butyl(dimethyl)silyl]oxy-2,8,8-trimethylundec-10-en-4-yn-3-one
SMILESC=CCC(C)(C)C(CC#CC(=O)C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O2Si/c1-11-15-20(7,8)18(14-12-13-17(21)16(2)3)22-23(9,10)19(4,5)6/h11,16,18H,1,14-15H2,2-10H3
InChIKeyAORMGNHTRVZQHF-UHFFFAOYSA-N
XLogP5.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.59
LogP ≤ 55.60
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'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

7,7-Dimethyl-6-tri(propan-2-yl)silyloxydec-9-en-4-ynal
CID 86086414
14-[Tert-butyl(dimethyl)silyl]oxy-2,4,4,15,15,17-hexamethyloctadeca-1,17-dien-6,12-diyn-5-one
CID 10972745
Tert-butyl-(5,5-dimethyloct-7-en-1-yn-4-yloxy)-dimethylsilane
CID 11054630
Tert-butyl-(1-ethoxy-4,4-dimethylhept-6-en-1-yn-3-yl)oxy-dimethylsilane
CID 12965687
Tert-butyl-(4,4-dimethyltridec-1-en-6,12-diyn-5-yloxy)-dimethylsilane
CID 15321749
Tert-butyl-(5,5-dimethylnon-1-en-7-yn-4-yloxy)-dimethylsilane
CID 24853770
[(4S,6S)-6-methylnon-8-en-2-yn-4-yl]oxy-tri(propan-2-yl)silane
CID 44227351
Ethyl 5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylnon-8-en-2-ynoate
CID 101016002
Tert-butyl-(4,4-dimethyltetradec-1-en-7,13-diyn-6-yloxy)-dimethylsilane
CID 102600480

Frequently Asked Questions

What is the IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxy-2,8,8-trimethylundec-10-en-4-yn-3-one?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxy-2,8,8-trimethylundec-10-en-4-yn-3-one (CID 11131517) is 7-[tert-butyl(dimethyl)silyl]oxy-2,8,8-trimethylundec-10-en-4-yn-3-one.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxy-2,8,8-trimethylundec-10-en-4-yn-3-one?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxy-2,8,8-trimethylundec-10-en-4-yn-3-one is C=CCC(C)(C)C(CC#CC(=O)C(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxy-2,8,8-trimethylundec-10-en-4-yn-3-one?
The InChIKey is AORMGNHTRVZQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O2Si/c1-11-15-20(7,8)18(14-12-13-17(21)16(2)3)22-23(9,10)19(4,5)6/h11,16,18H,1,14-15H2,2-10H3.
What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxy-2,8,8-trimethylundec-10-en-4-yn-3-one?
7-[tert-butyl(dimethyl)silyl]oxy-2,8,8-trimethylundec-10-en-4-yn-3-one has a molecular weight of 336.59 g/mol, XLogP of 5.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(dimethyl)silyl]oxy-2,8,8-trimethylundec-10-en-4-yn-3-one is sourced from PubChem (CID 11131517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).