ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxyundec-4-en-6-ynoate

C19H34O3Si — CID 135016356

IUPACethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxyundec-4-en-6-ynoate
SMILESCCCCC#C/C=C\C(CC(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O3Si/c1-8-10-11-12-13-14-15-17(16-18(20)21-9-2)22-23(6,7)19(3,4)5/h14-15,17H,8-11,16H2,1-7H3/b15-14-
InChIKeyFYQZSIVPMLOXEE-PFONDFGASA-N
MW338.56 g/mol
LogP5.08
Rot. Bonds8

About ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxyundec-4-en-6-ynoate

ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxyundec-4-en-6-ynoate (PubChem CID 135016356) has the molecular formula C19H34O3Si and a molecular weight of 338.56 g/mol. Its IUPAC name is ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxyundec-4-en-6-ynoate.

Molecular Properties

Compound Nameethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxyundec-4-en-6-ynoate
PubChem CID135016356
Molecular FormulaC19H34O3Si
Molecular Weight338.56 g/mol
Exact Mass338.23
IUPAC Nameethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxyundec-4-en-6-ynoate
SMILESCCCCC#C/C=C\C(CC(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O3Si/c1-8-10-11-12-13-14-15-17(16-18(20)21-9-2)22-23(6,7)19(3,4)5/h14-15,17H,8-11,16H2,1-7H3/b15-14-
InChIKeyFYQZSIVPMLOXEE-PFONDFGASA-N
XLogP5.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.56
LogP ≤ 55.08
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Ethyl 4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-ynoate
CID 101012127
ethyl (E,9S)-9-[tert-butyl(dimethyl)silyl]oxydec-3-en-5-ynoate
CID 134887280
methyl (11R,12E,14Z)-11-[tert-butyl(dimethyl)silyl]oxyicosa-12,14-dien-5,8-diynoate
CID 134976599
diethyl 2-[(E)-4-[[(1E)-buta-1,3-dienyl]-di(propan-2-yl)silyl]oxybut-2-enyl]-2-prop-2-ynylpropanedioate
CID 135079520
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
ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate
CID 10401049
methyl (E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-enoate
CID 101611852
Tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5,9,13-trimethyltetradeca-4,8,12-trienoate
CID 57202624
(7E,9Z)-6-[tert-butyl(dimethyl)silyl]oxy-1-oxacyclotetradeca-7,9-dien-3-yn-2-one
CID 58714750
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

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxyundec-4-en-6-ynoate?
The IUPAC name of ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxyundec-4-en-6-ynoate (CID 135016356) is ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxyundec-4-en-6-ynoate.
What is the SMILES notation for ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxyundec-4-en-6-ynoate?
The canonical SMILES for ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxyundec-4-en-6-ynoate is CCCCC#C/C=C\C(CC(=O)OCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxyundec-4-en-6-ynoate?
The InChIKey is FYQZSIVPMLOXEE-PFONDFGASA-N. The full InChI is InChI=1S/C19H34O3Si/c1-8-10-11-12-13-14-15-17(16-18(20)21-9-2)22-23(6,7)19(3,4)5/h14-15,17H,8-11,16H2,1-7H3/b15-14-.
What are the key properties of ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxyundec-4-en-6-ynoate?
ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxyundec-4-en-6-ynoate has a molecular weight of 338.56 g/mol, XLogP of 5.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxyundec-4-en-6-ynoate is sourced from PubChem (CID 135016356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).