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

C20H34O2Si — CID 156679609

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

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

(4E,8Z,11Z)-6-[tert-butyl(dimethyl)silyl]oxytetradeca-4,8,11-trien-2-yn-1-ol (PubChem CID 156679609) has the molecular formula C20H34O2Si and a molecular weight of 334.58 g/mol. Its IUPAC name is (4E,8Z,11Z)-6-[tert-butyl(dimethyl)silyl]oxytetradeca-4,8,11-trien-2-yn-1-ol.

Molecular Properties

Compound Name(4E,8Z,11Z)-6-[tert-butyl(dimethyl)silyl]oxytetradeca-4,8,11-trien-2-yn-1-ol
PubChem CID156679609
Molecular FormulaC20H34O2Si
Molecular Weight334.58 g/mol
Exact Mass334.23
IUPAC Name(4E,8Z,11Z)-6-[tert-butyl(dimethyl)silyl]oxytetradeca-4,8,11-trien-2-yn-1-ol
SMILESCC/C=C\C/C=C\CC(/C=C/C#CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34O2Si/c1-7-8-9-10-11-13-16-19(17-14-12-15-18-21)22-23(5,6)20(2,3)4/h8-9,11,13-14,17,19,21H,7,10,16,18H2,1-6H3/b9-8-,13-11-,17-14+
InChIKeyDNYDVWDWHUKOAR-QUCWAOPCSA-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-en-1-ol
CID 12194985
(2Z,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-2,6-dien-1-ol
CID 134950412
tert-butyl-[(2E,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,6-dienoxy]-dimethylsilane
CID 5387042
(Z,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-en-1-ol
CID 10488936
(2E,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol
CID 11098093
(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-[(3Z,5S,7Z)-deca-3,7-dien-1-yn-5-yl]oxy-dimethylsilane
CID 53359090
(E,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-en-1-ol
CID 101778807
(2E,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,8,11-trien-4-yn-6-ol
CID 102518304
tert-butyl-dimethyl-[(3Z,5S,7Z,10Z)-trideca-3,7,10-trien-1-yn-5-yl]oxysilane
CID 122386867

Frequently Asked Questions

What is the IUPAC name of (4E,8Z,11Z)-6-[tert-butyl(dimethyl)silyl]oxytetradeca-4,8,11-trien-2-yn-1-ol?
The IUPAC name of (4E,8Z,11Z)-6-[tert-butyl(dimethyl)silyl]oxytetradeca-4,8,11-trien-2-yn-1-ol (CID 156679609) is (4E,8Z,11Z)-6-[tert-butyl(dimethyl)silyl]oxytetradeca-4,8,11-trien-2-yn-1-ol.
What is the SMILES notation for (4E,8Z,11Z)-6-[tert-butyl(dimethyl)silyl]oxytetradeca-4,8,11-trien-2-yn-1-ol?
The canonical SMILES for (4E,8Z,11Z)-6-[tert-butyl(dimethyl)silyl]oxytetradeca-4,8,11-trien-2-yn-1-ol is CC/C=C\C/C=C\CC(/C=C/C#CCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4E,8Z,11Z)-6-[tert-butyl(dimethyl)silyl]oxytetradeca-4,8,11-trien-2-yn-1-ol?
The InChIKey is DNYDVWDWHUKOAR-QUCWAOPCSA-N. The full InChI is InChI=1S/C20H34O2Si/c1-7-8-9-10-11-13-16-19(17-14-12-15-18-21)22-23(5,6)20(2,3)4/h8-9,11,13-14,17,19,21H,7,10,16,18H2,1-6H3/b9-8-,13-11-,17-14+.
What are the key properties of (4E,8Z,11Z)-6-[tert-butyl(dimethyl)silyl]oxytetradeca-4,8,11-trien-2-yn-1-ol?
(4E,8Z,11Z)-6-[tert-butyl(dimethyl)silyl]oxytetradeca-4,8,11-trien-2-yn-1-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 (4E,8Z,11Z)-6-[tert-butyl(dimethyl)silyl]oxytetradeca-4,8,11-trien-2-yn-1-ol is sourced from PubChem (CID 156679609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).