ethyl (E,9S)-9-[tert-butyl(dimethyl)silyl]oxydec-3-en-5-ynoate

C18H32O3Si — CID 134887280

IUPACethyl (E,9S)-9-[tert-butyl(dimethyl)silyl]oxydec-3-en-5-ynoate
SMILESCCOC(=O)C/C=C/C#CCC[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O3Si/c1-8-20-17(19)15-13-11-9-10-12-14-16(2)21-22(6,7)18(3,4)5/h11,13,16H,8,12,14-15H2,1-7H3/b13-11+/t16-/m0/s1
InChIKeySTHLMLIYYXGBCH-BYIUCRAPSA-N
MW324.54 g/mol
LogP4.69
Rot. Bonds7

About ethyl (E,9S)-9-[tert-butyl(dimethyl)silyl]oxydec-3-en-5-ynoate

ethyl (E,9S)-9-[tert-butyl(dimethyl)silyl]oxydec-3-en-5-ynoate (PubChem CID 134887280) has the molecular formula C18H32O3Si and a molecular weight of 324.54 g/mol. Its IUPAC name is ethyl (E,9S)-9-[tert-butyl(dimethyl)silyl]oxydec-3-en-5-ynoate.

Molecular Properties

Compound Nameethyl (E,9S)-9-[tert-butyl(dimethyl)silyl]oxydec-3-en-5-ynoate
PubChem CID134887280
Molecular FormulaC18H32O3Si
Molecular Weight324.54 g/mol
Exact Mass324.21
IUPAC Nameethyl (E,9S)-9-[tert-butyl(dimethyl)silyl]oxydec-3-en-5-ynoate
SMILESCCOC(=O)C/C=C/C#CCC[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O3Si/c1-8-20-17(19)15-13-11-9-10-12-14-16(2)21-22(6,7)18(3,4)5/h11,13,16H,8,12,14-15H2,1-7H3/b13-11+/t16-/m0/s1
InChIKeySTHLMLIYYXGBCH-BYIUCRAPSA-N
XLogP4.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.54
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-7-en-2-ynoate
CID 11034701
Ethyl 4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-ynoate
CID 101012127
ethyl (4E,6Z,10S)-10-[tert-butyl(dimethyl)silyl]oxyundeca-4,6-dienoate
CID 134980795
ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxyundec-4-en-6-ynoate
CID 135016356
methyl (E,18R)-18-[tert-butyl(dimethyl)silyl]oxyicos-16-en-5,8,11,14-tetraynoate
CID 138982536
methyl (5Z,8Z,11Z,16E,18R)-18-[tert-butyl(dimethyl)silyl]oxyicosa-5,8,11,16-tetraen-14-ynoate
CID 138982537
methyl (E,18S)-18-[tert-butyl(dimethyl)silyl]oxyicos-16-en-5,8,11,14-tetraynoate
CID 138982735
methyl (9E,11E)-7-[tert-butyl(dimethyl)silyl]oxy-8-methyltetradeca-9,11-dien-4,13-diynoate
CID 59153448
methyl (4Z,7S,8E,15E,17S,19Z)-7,17-bis[[tert-butyl(dimethyl)silyl]oxy]docosa-4,8,15,19-tetraen-10,13-diynoate
CID 59372892
hex-5-enyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoate
CID 59721600
Methyl 7,17-bis[[tert-butyl(dimethyl)silyl]oxy]docosa-4,8,15,19-tetraen-10,13-diynoate
CID 72273536
Hex-5-enyl 5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoate
CID 72367443

Frequently Asked Questions

What is the IUPAC name of ethyl (E,9S)-9-[tert-butyl(dimethyl)silyl]oxydec-3-en-5-ynoate?
The IUPAC name of ethyl (E,9S)-9-[tert-butyl(dimethyl)silyl]oxydec-3-en-5-ynoate (CID 134887280) is ethyl (E,9S)-9-[tert-butyl(dimethyl)silyl]oxydec-3-en-5-ynoate.
What is the SMILES notation for ethyl (E,9S)-9-[tert-butyl(dimethyl)silyl]oxydec-3-en-5-ynoate?
The canonical SMILES for ethyl (E,9S)-9-[tert-butyl(dimethyl)silyl]oxydec-3-en-5-ynoate is CCOC(=O)C/C=C/C#CCC[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (E,9S)-9-[tert-butyl(dimethyl)silyl]oxydec-3-en-5-ynoate?
The InChIKey is STHLMLIYYXGBCH-BYIUCRAPSA-N. The full InChI is InChI=1S/C18H32O3Si/c1-8-20-17(19)15-13-11-9-10-12-14-16(2)21-22(6,7)18(3,4)5/h11,13,16H,8,12,14-15H2,1-7H3/b13-11+/t16-/m0/s1.
What are the key properties of ethyl (E,9S)-9-[tert-butyl(dimethyl)silyl]oxydec-3-en-5-ynoate?
ethyl (E,9S)-9-[tert-butyl(dimethyl)silyl]oxydec-3-en-5-ynoate has a molecular weight of 324.54 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,9S)-9-[tert-butyl(dimethyl)silyl]oxydec-3-en-5-ynoate is sourced from PubChem (CID 134887280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).