(2E,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,8,11-trien-4-yn-6-ol

C20H34O2Si — CID 102518304

IUPAC(2E,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,8,11-trien-4-yn-6-ol
SMILESCC/C=C\C/C=C\C[C@H](O)C#C/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34O2Si/c1-7-8-9-10-11-13-16-19(21)17-14-12-15-18-22-23(5,6)20(2,3)4/h8-9,11-13,15,19,21H,7,10,16,18H2,1-6H3/b9-8-,13-11-,15-12+/t19-/m0/s1
InChIKeyKCIZMKVUHMPDDG-MWDDGIOESA-N
MW334.58 g/mol
LogP5.23
Rot. Bonds8

About (2E,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,8,11-trien-4-yn-6-ol

(2E,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,8,11-trien-4-yn-6-ol (PubChem CID 102518304) has the molecular formula C20H34O2Si and a molecular weight of 334.58 g/mol. Its IUPAC name is (2E,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,8,11-trien-4-yn-6-ol.

Molecular Properties

Compound Name(2E,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,8,11-trien-4-yn-6-ol
PubChem CID102518304
Molecular FormulaC20H34O2Si
Molecular Weight334.58 g/mol
Exact Mass334.23
IUPAC Name(2E,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,8,11-trien-4-yn-6-ol
SMILESCC/C=C\C/C=C\C[C@H](O)C#C/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34O2Si/c1-7-8-9-10-11-13-16-19(21)17-14-12-15-18-22-23(5,6)20(2,3)4/h8-9,11-13,15,19,21H,7,10,16,18H2,1-6H3/b9-8-,13-11-,15-12+/t19-/m0/s1
InChIKeyKCIZMKVUHMPDDG-MWDDGIOESA-N
XLogP5.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.58
LogP ≤ 55.23
H-Bond Donors ≤ 51
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-2,6-dien-1-ol
CID 134950412
(2E,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol
CID 11098093
(E,3R,4R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-1-tri(propan-2-yl)silyloct-5-en-1-yn-4-ol
CID 11633537
(E,3R,4S)-3-methyl-1-tri(propan-2-yl)silyldec-5-en-1-yn-4-ol
CID 11674197
(E,3R,4R,7R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethyl-1-tri(propan-2-yl)silyloct-5-en-1-yn-4-ol
CID 11698150
(E)-1-trimethylsilylhept-5-en-1-yn-4-ol
CID 13357612
(E,2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-tri(propan-2-yl)silyloxyhex-4-en-2-ol
CID 15182176
(E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-trimethylsilyloct-5-en-1-yn-4-ol
CID 25146570
(2R,3S,4E,6R,7S,8Z)-3,5,7-trimethyl-2-triethylsilyloxydodeca-4,8-dien-10-yn-6-ol
CID 49836104
tert-butyl-dimethyl-[(3Z,5S,7Z,10Z)-trideca-3,7,10-trien-1-yn-5-yl]oxysilane
CID 122386867
(Z,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-en-1-ol
CID 129403734
(1Z,4S)-6-methyl-1-tri(propan-2-yl)silyloxyhepta-1,5-dien-4-ol
CID 132916242

Frequently Asked Questions

What is the IUPAC name of (2E,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,8,11-trien-4-yn-6-ol?
The IUPAC name of (2E,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,8,11-trien-4-yn-6-ol (CID 102518304) is (2E,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,8,11-trien-4-yn-6-ol.
What is the SMILES notation for (2E,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,8,11-trien-4-yn-6-ol?
The canonical SMILES for (2E,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,8,11-trien-4-yn-6-ol is CC/C=C\C/C=C\C[C@H](O)C#C/C=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2E,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,8,11-trien-4-yn-6-ol?
The InChIKey is KCIZMKVUHMPDDG-MWDDGIOESA-N. The full InChI is InChI=1S/C20H34O2Si/c1-7-8-9-10-11-13-16-19(21)17-14-12-15-18-22-23(5,6)20(2,3)4/h8-9,11-13,15,19,21H,7,10,16,18H2,1-6H3/b9-8-,13-11-,15-12+/t19-/m0/s1.
What are the key properties of (2E,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,8,11-trien-4-yn-6-ol?
(2E,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,8,11-trien-4-yn-6-ol has a molecular weight of 334.58 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,8,11-trien-4-yn-6-ol is sourced from PubChem (CID 102518304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).