ethyl 10-[tert-butyl(dimethyl)silyl]oxy-11,11,13-trimethyltetradec-13-en-2,8-diynoate

C25H42O3Si — CID 11015277

IUPACethyl 10-[tert-butyl(dimethyl)silyl]oxy-11,11,13-trimethyltetradec-13-en-2,8-diynoate
SMILESC=C(C)CC(C)(C)C(C#CCCCCC#CC(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H42O3Si/c1-11-27-23(26)19-17-15-13-12-14-16-18-22(25(7,8)20-21(2)3)28-29(9,10)24(4,5)6/h22H,2,11-15,20H2,1,3-10H3
InChIKeyVVKUWRWGEOULDV-UHFFFAOYSA-N
MW418.69 g/mol
LogP6.50
Rot. Bonds9

About ethyl 10-[tert-butyl(dimethyl)silyl]oxy-11,11,13-trimethyltetradec-13-en-2,8-diynoate

ethyl 10-[tert-butyl(dimethyl)silyl]oxy-11,11,13-trimethyltetradec-13-en-2,8-diynoate (PubChem CID 11015277) has the molecular formula C25H42O3Si and a molecular weight of 418.69 g/mol. Its IUPAC name is ethyl 10-[tert-butyl(dimethyl)silyl]oxy-11,11,13-trimethyltetradec-13-en-2,8-diynoate.

Molecular Properties

Compound Nameethyl 10-[tert-butyl(dimethyl)silyl]oxy-11,11,13-trimethyltetradec-13-en-2,8-diynoate
PubChem CID11015277
Molecular FormulaC25H42O3Si
Molecular Weight418.69 g/mol
Exact Mass418.29
IUPAC Nameethyl 10-[tert-butyl(dimethyl)silyl]oxy-11,11,13-trimethyltetradec-13-en-2,8-diynoate
SMILESC=C(C)CC(C)(C)C(C#CCCCCC#CC(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H42O3Si/c1-11-27-23(26)19-17-15-13-12-14-16-18-22(25(7,8)20-21(2)3)28-29(9,10)24(4,5)6/h22H,2,11-15,20H2,1,3-10H3
InChIKeyVVKUWRWGEOULDV-UHFFFAOYSA-N
XLogP6.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.69
LogP ≤ 56.50
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze ethyl 10-[tert-butyl(dimethyl)silyl]oxy-11,11,13-trimethyltetradec-13-en-2,8-diynoate with MolForge

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Related Compounds

[1-[3-[Tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]-4,4-dimethylhept-6-en-1-yn-3-yl] acetate
CID 42611999
Ethyl 4-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylnon-8-en-2-ynoate
CID 135072439
[9,9-Bis(methoxymethyl)-2,4,4-trimethyldodec-1-en-6,11-diyn-5-yl]oxy-tert-butyl-dimethylsilane
CID 11144282
Ethyl 4-[tert-butyl(dimethyl)silyl]oxy-5,5,6-trimethylocta-6,7-dien-2-ynoate
CID 11198492
Ethyl 5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylnona-7,8-dien-2-ynoate
CID 11717029
propan-2-yl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylidenenon-2-ynoate
CID 51051302
Ethyl 5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylnon-8-en-2-ynoate
CID 101016002

Frequently Asked Questions

What is the IUPAC name of ethyl 10-[tert-butyl(dimethyl)silyl]oxy-11,11,13-trimethyltetradec-13-en-2,8-diynoate?
The IUPAC name of ethyl 10-[tert-butyl(dimethyl)silyl]oxy-11,11,13-trimethyltetradec-13-en-2,8-diynoate (CID 11015277) is ethyl 10-[tert-butyl(dimethyl)silyl]oxy-11,11,13-trimethyltetradec-13-en-2,8-diynoate.
What is the SMILES notation for ethyl 10-[tert-butyl(dimethyl)silyl]oxy-11,11,13-trimethyltetradec-13-en-2,8-diynoate?
The canonical SMILES for ethyl 10-[tert-butyl(dimethyl)silyl]oxy-11,11,13-trimethyltetradec-13-en-2,8-diynoate is C=C(C)CC(C)(C)C(C#CCCCCC#CC(=O)OCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 10-[tert-butyl(dimethyl)silyl]oxy-11,11,13-trimethyltetradec-13-en-2,8-diynoate?
The InChIKey is VVKUWRWGEOULDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42O3Si/c1-11-27-23(26)19-17-15-13-12-14-16-18-22(25(7,8)20-21(2)3)28-29(9,10)24(4,5)6/h22H,2,11-15,20H2,1,3-10H3.
What are the key properties of ethyl 10-[tert-butyl(dimethyl)silyl]oxy-11,11,13-trimethyltetradec-13-en-2,8-diynoate?
ethyl 10-[tert-butyl(dimethyl)silyl]oxy-11,11,13-trimethyltetradec-13-en-2,8-diynoate has a molecular weight of 418.69 g/mol, XLogP of 6.50, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 10-[tert-butyl(dimethyl)silyl]oxy-11,11,13-trimethyltetradec-13-en-2,8-diynoate is sourced from PubChem (CID 11015277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).