methyl 9-[tert-butyl(dimethyl)silyl]oxynon-2-ynoate

C16H30O3Si — CID 134918732

IUPACmethyl 9-[tert-butyl(dimethyl)silyl]oxynon-2-ynoate
SMILESCOC(=O)C#CCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-16(2,3)20(5,6)19-14-12-10-8-7-9-11-13-15(17)18-4/h7-10,12,14H2,1-6H3
InChIKeyNFRBYNYEQMCUNX-UHFFFAOYSA-N
MW298.50 g/mol
LogP4.14
Rot. Bonds7

About methyl 9-[tert-butyl(dimethyl)silyl]oxynon-2-ynoate

methyl 9-[tert-butyl(dimethyl)silyl]oxynon-2-ynoate (PubChem CID 134918732) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is methyl 9-[tert-butyl(dimethyl)silyl]oxynon-2-ynoate.

Molecular Properties

Compound Namemethyl 9-[tert-butyl(dimethyl)silyl]oxynon-2-ynoate
PubChem CID134918732
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Namemethyl 9-[tert-butyl(dimethyl)silyl]oxynon-2-ynoate
SMILESCOC(=O)C#CCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-16(2,3)20(5,6)19-14-12-10-8-7-9-11-13-15(17)18-4/h7-10,12,14H2,1-6H3
InChIKeyNFRBYNYEQMCUNX-UHFFFAOYSA-N
XLogP4.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-Heptynoic acid, 7-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, methyl ester
CID 11231036
Ethyl 7-[tert-butyl(dimethyl)silyl]oxyhept-2-ynoate
CID 11346650
methyl (9R)-9-[tert-butyl(dimethyl)silyl]oxydec-2-ynoate
CID 57327614
11-Tri(propan-2-yl)silylundec-10-ynyl acetate
CID 101472039
7-Trimethylsilylhept-6-ynyl acetate
CID 101548014
Methyl 14-trimethylsilyloxy-2-tetradecynoate
CID 129726234
Methyl 11-[tert-butyl(dimethyl)silyl]oxyundec-9-ynoate
CID 134843520
Methyl 4-[tert-butyl(dimethyl)silyl]oxynon-2-ynoate
CID 134862111
9-[Tert-butyl(dimethyl)silyl]oxynon-2-ynoic acid
CID 134893553
ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxydodec-2-ynoate
CID 135015259
Ethyl 8-((tert-butyldimethylsilyl)oxy)oct-2-ynoate
CID 138375704
8-([tert-Butyl(dimethyl)silyl]oxy)-14-pentyloxacyclotetradec-5-yn-2-one
CID 597982

Frequently Asked Questions

What is the IUPAC name of methyl 9-[tert-butyl(dimethyl)silyl]oxynon-2-ynoate?
The IUPAC name of methyl 9-[tert-butyl(dimethyl)silyl]oxynon-2-ynoate (CID 134918732) is methyl 9-[tert-butyl(dimethyl)silyl]oxynon-2-ynoate.
What is the SMILES notation for methyl 9-[tert-butyl(dimethyl)silyl]oxynon-2-ynoate?
The canonical SMILES for methyl 9-[tert-butyl(dimethyl)silyl]oxynon-2-ynoate is COC(=O)C#CCCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 9-[tert-butyl(dimethyl)silyl]oxynon-2-ynoate?
The InChIKey is NFRBYNYEQMCUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-16(2,3)20(5,6)19-14-12-10-8-7-9-11-13-15(17)18-4/h7-10,12,14H2,1-6H3.
What are the key properties of methyl 9-[tert-butyl(dimethyl)silyl]oxynon-2-ynoate?
methyl 9-[tert-butyl(dimethyl)silyl]oxynon-2-ynoate has a molecular weight of 298.50 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-[tert-butyl(dimethyl)silyl]oxynon-2-ynoate is sourced from PubChem (CID 134918732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).