[(2E,9E)-4-methoxy-10,14-dimethylpentadeca-2,9,13-trien-5-yn-2-yl]oxy-trimethylsilane

C21H36O2Si — CID 10760182

IUPAC[(2E,9E)-4-methoxy-10,14-dimethylpentadeca-2,9,13-trien-5-yn-2-yl]oxy-trimethylsilane
SMILESCOC(C#CCC/C=C(\C)CCC=C(C)C)/C=C(\C)O[Si](C)(C)C
InChIInChI=1S/C21H36O2Si/c1-18(2)13-12-15-19(3)14-10-9-11-16-21(22-5)17-20(4)23-24(6,7)8/h13-14,17,21H,9-10,12,15H2,1-8H3/b19-14+,20-17+
InChIKeyIAWXHLNBIYHHFS-PDGSTHCXSA-N
MW348.60 g/mol
LogP6.23
Rot. Bonds9

About [(2E,9E)-4-methoxy-10,14-dimethylpentadeca-2,9,13-trien-5-yn-2-yl]oxy-trimethylsilane

[(2E,9E)-4-methoxy-10,14-dimethylpentadeca-2,9,13-trien-5-yn-2-yl]oxy-trimethylsilane (PubChem CID 10760182) has the molecular formula C21H36O2Si and a molecular weight of 348.60 g/mol. Its IUPAC name is [(2E,9E)-4-methoxy-10,14-dimethylpentadeca-2,9,13-trien-5-yn-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(2E,9E)-4-methoxy-10,14-dimethylpentadeca-2,9,13-trien-5-yn-2-yl]oxy-trimethylsilane
PubChem CID10760182
Molecular FormulaC21H36O2Si
Molecular Weight348.60 g/mol
Exact Mass348.25
IUPAC Name[(2E,9E)-4-methoxy-10,14-dimethylpentadeca-2,9,13-trien-5-yn-2-yl]oxy-trimethylsilane
SMILESCOC(C#CCC/C=C(\C)CCC=C(C)C)/C=C(\C)O[Si](C)(C)C
InChIInChI=1S/C21H36O2Si/c1-18(2)13-12-15-19(3)14-10-9-11-16-21(22-5)17-20(4)23-24(6,7)8/h13-14,17,21H,9-10,12,15H2,1-8H3/b19-14+,20-17+
InChIKeyIAWXHLNBIYHHFS-PDGSTHCXSA-N
XLogP6.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.60
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [(2E,9E)-4-methoxy-10,14-dimethylpentadeca-2,9,13-trien-5-yn-2-yl]oxy-trimethylsilane with MolForge

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Related Compounds

tri(propan-2-yl)-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yn-4-yl]oxysilane
CID 134875143
[(E)-4-methoxy-7,7-dimethyloct-2-en-5-yn-2-yl]oxy-trimethylsilane
CID 134890126
carbon monoxide;[(2E,6E,10E,12S)-1-methoxy-3,6,10-trimethyl-12-tri(propan-2-yl)silyloxytetradeca-2,6,10-trien-13-ynylidene]chromium
CID 134940523
[(E)-4-methoxynon-2-en-5-yn-2-yl]oxy-trimethylsilane
CID 135046086
tert-butyl-[(2E,6E)-3,7-dimethyl-8-prop-2-ynoxyocta-2,6-dienoxy]-dimethylsilane
CID 13820175
tert-butyl-dimethyl-[[(7E,11E,15E)-8,12,16-trimethyl-1-oxacycloheptadeca-7,11,15-trien-3-yn-6-yl]oxy]silane
CID 14138487
CID 24178863
CID 24178863
CID 24178864
CID 24178864
tert-butyl-[(E)-4-(1-methoxyethyl)hept-4-en-2,6-diynoxy]-dimethylsilane
CID 24773156
[(4E)-5,9-dimethyldeca-4,8-dien-1-yn-3-yl]oxy-tri(propan-2-yl)silane
CID 132536057
[(2E,6E,10E,12S)-1-methoxy-3,6,10-trimethyl-12-tri(propan-2-yl)silyloxytetradeca-2,6,10-trien-13-ynylidene]chromium
CID 134940524

Frequently Asked Questions

What is the IUPAC name of [(2E,9E)-4-methoxy-10,14-dimethylpentadeca-2,9,13-trien-5-yn-2-yl]oxy-trimethylsilane?
The IUPAC name of [(2E,9E)-4-methoxy-10,14-dimethylpentadeca-2,9,13-trien-5-yn-2-yl]oxy-trimethylsilane (CID 10760182) is [(2E,9E)-4-methoxy-10,14-dimethylpentadeca-2,9,13-trien-5-yn-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [(2E,9E)-4-methoxy-10,14-dimethylpentadeca-2,9,13-trien-5-yn-2-yl]oxy-trimethylsilane?
The canonical SMILES for [(2E,9E)-4-methoxy-10,14-dimethylpentadeca-2,9,13-trien-5-yn-2-yl]oxy-trimethylsilane is COC(C#CCC/C=C(\C)CCC=C(C)C)/C=C(\C)O[Si](C)(C)C.
What is the InChIKey of [(2E,9E)-4-methoxy-10,14-dimethylpentadeca-2,9,13-trien-5-yn-2-yl]oxy-trimethylsilane?
The InChIKey is IAWXHLNBIYHHFS-PDGSTHCXSA-N. The full InChI is InChI=1S/C21H36O2Si/c1-18(2)13-12-15-19(3)14-10-9-11-16-21(22-5)17-20(4)23-24(6,7)8/h13-14,17,21H,9-10,12,15H2,1-8H3/b19-14+,20-17+.
What are the key properties of [(2E,9E)-4-methoxy-10,14-dimethylpentadeca-2,9,13-trien-5-yn-2-yl]oxy-trimethylsilane?
[(2E,9E)-4-methoxy-10,14-dimethylpentadeca-2,9,13-trien-5-yn-2-yl]oxy-trimethylsilane has a molecular weight of 348.60 g/mol, XLogP of 6.23, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,9E)-4-methoxy-10,14-dimethylpentadeca-2,9,13-trien-5-yn-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 10760182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).