methyl (2E)-8-[tert-butyl(dimethyl)silyl]oxy-3,10-dimethylundeca-2,9-dien-4-ynoate

C20H34O3Si — CID 134969842

IUPACmethyl (2E)-8-[tert-butyl(dimethyl)silyl]oxy-3,10-dimethylundeca-2,9-dien-4-ynoate
SMILESCOC(=O)/C=C(\C)C#CCCC(C=C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34O3Si/c1-16(2)14-18(23-24(8,9)20(4,5)6)13-11-10-12-17(3)15-19(21)22-7/h14-15,18H,11,13H2,1-9H3/b17-15+
InChIKeyAVKOFAKLYGQLFQ-BMRADRMJSA-N
MW350.58 g/mol
LogP5.25
Rot. Bonds6

About methyl (2E)-8-[tert-butyl(dimethyl)silyl]oxy-3,10-dimethylundeca-2,9-dien-4-ynoate

methyl (2E)-8-[tert-butyl(dimethyl)silyl]oxy-3,10-dimethylundeca-2,9-dien-4-ynoate (PubChem CID 134969842) has the molecular formula C20H34O3Si and a molecular weight of 350.58 g/mol. Its IUPAC name is methyl (2E)-8-[tert-butyl(dimethyl)silyl]oxy-3,10-dimethylundeca-2,9-dien-4-ynoate.

Molecular Properties

Compound Namemethyl (2E)-8-[tert-butyl(dimethyl)silyl]oxy-3,10-dimethylundeca-2,9-dien-4-ynoate
PubChem CID134969842
Molecular FormulaC20H34O3Si
Molecular Weight350.58 g/mol
Exact Mass350.23
IUPAC Namemethyl (2E)-8-[tert-butyl(dimethyl)silyl]oxy-3,10-dimethylundeca-2,9-dien-4-ynoate
SMILESCOC(=O)/C=C(\C)C#CCCC(C=C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34O3Si/c1-16(2)14-18(23-24(8,9)20(4,5)6)13-11-10-12-17(3)15-19(21)22-7/h14-15,18H,11,13H2,1-9H3/b17-15+
InChIKeyAVKOFAKLYGQLFQ-BMRADRMJSA-N
XLogP5.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.58
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze methyl (2E)-8-[tert-butyl(dimethyl)silyl]oxy-3,10-dimethylundeca-2,9-dien-4-ynoate with MolForge

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Related Compounds

methyl (2Z,6E)-3-[tert-butyl(dimethyl)silyl]oxy-10-cyclopropylidene-7-methyldeca-2,6-dienoate
CID 135046761
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
CID 23642892
ethyl (2E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhepta-2,6-dienoate
CID 24881280
methyl (E)-3-propyl-4-triethylsilyloxydec-2-enoate
CID 71486540
Ethyl 4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-ynoate
CID 101012127
methyl (E)-3-methyl-6-triethylsilyloxyhex-2-enoate
CID 101521912
(S,e)-ethyl 6-(t-butyldimethylsilyloxy)hept-2-enoate
CID 129843282
methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-2-enoate
CID 134846818
methyl (Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-5,5-dimethylnon-2-en-7-ynoate
CID 134887316
ethyl (2E,8S,9Z)-8-[tert-butyl(dimethyl)silyl]oxyheptadeca-2,9-dien-4,6-diynoate
CID 134974624
ethyl (E)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-enoate
CID 135012258
ethyl (2E,6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-2,6,11-trimethyldodeca-2,6,10-trienoate
CID 135024074

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-8-[tert-butyl(dimethyl)silyl]oxy-3,10-dimethylundeca-2,9-dien-4-ynoate?
The IUPAC name of methyl (2E)-8-[tert-butyl(dimethyl)silyl]oxy-3,10-dimethylundeca-2,9-dien-4-ynoate (CID 134969842) is methyl (2E)-8-[tert-butyl(dimethyl)silyl]oxy-3,10-dimethylundeca-2,9-dien-4-ynoate.
What is the SMILES notation for methyl (2E)-8-[tert-butyl(dimethyl)silyl]oxy-3,10-dimethylundeca-2,9-dien-4-ynoate?
The canonical SMILES for methyl (2E)-8-[tert-butyl(dimethyl)silyl]oxy-3,10-dimethylundeca-2,9-dien-4-ynoate is COC(=O)/C=C(\C)C#CCCC(C=C(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2E)-8-[tert-butyl(dimethyl)silyl]oxy-3,10-dimethylundeca-2,9-dien-4-ynoate?
The InChIKey is AVKOFAKLYGQLFQ-BMRADRMJSA-N. The full InChI is InChI=1S/C20H34O3Si/c1-16(2)14-18(23-24(8,9)20(4,5)6)13-11-10-12-17(3)15-19(21)22-7/h14-15,18H,11,13H2,1-9H3/b17-15+.
What are the key properties of methyl (2E)-8-[tert-butyl(dimethyl)silyl]oxy-3,10-dimethylundeca-2,9-dien-4-ynoate?
methyl (2E)-8-[tert-butyl(dimethyl)silyl]oxy-3,10-dimethylundeca-2,9-dien-4-ynoate has a molecular weight of 350.58 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-8-[tert-butyl(dimethyl)silyl]oxy-3,10-dimethylundeca-2,9-dien-4-ynoate is sourced from PubChem (CID 134969842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).