methyl (2Z,4E,6E,8E,10E)-13-[tert-butyl(dimethyl)silyl]oxytrideca-2,4,6,8,10-pentaenoate

C20H32O3Si — CID 134982239

IUPACmethyl (2Z,4E,6E,8E,10E)-13-[tert-butyl(dimethyl)silyl]oxytrideca-2,4,6,8,10-pentaenoate
SMILESCOC(=O)/C=C\C=C\C=C\C=C\C=C\CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H32O3Si/c1-20(2,3)24(5,6)23-18-16-14-12-10-8-7-9-11-13-15-17-19(21)22-4/h7-15,17H,16,18H2,1-6H3/b9-7+,10-8+,13-11+,14-12+,17-15-
InChIKeyBZQCPAUEVQAHOF-OXLDDISOSA-N
MW348.56 g/mol
LogP5.35
Rot. Bonds9

About methyl (2Z,4E,6E,8E,10E)-13-[tert-butyl(dimethyl)silyl]oxytrideca-2,4,6,8,10-pentaenoate

methyl (2Z,4E,6E,8E,10E)-13-[tert-butyl(dimethyl)silyl]oxytrideca-2,4,6,8,10-pentaenoate (PubChem CID 134982239) has the molecular formula C20H32O3Si and a molecular weight of 348.56 g/mol. Its IUPAC name is methyl (2Z,4E,6E,8E,10E)-13-[tert-butyl(dimethyl)silyl]oxytrideca-2,4,6,8,10-pentaenoate.

Molecular Properties

Compound Namemethyl (2Z,4E,6E,8E,10E)-13-[tert-butyl(dimethyl)silyl]oxytrideca-2,4,6,8,10-pentaenoate
PubChem CID134982239
Molecular FormulaC20H32O3Si
Molecular Weight348.56 g/mol
Exact Mass348.21
IUPAC Namemethyl (2Z,4E,6E,8E,10E)-13-[tert-butyl(dimethyl)silyl]oxytrideca-2,4,6,8,10-pentaenoate
SMILESCOC(=O)/C=C\C=C\C=C\C=C\C=C\CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H32O3Si/c1-20(2,3)24(5,6)23-18-16-14-12-10-8-7-9-11-13-15-17-19(21)22-4/h7-15,17H,16,18H2,1-6H3/b9-7+,10-8+,13-11+,14-12+,17-15-
InChIKeyBZQCPAUEVQAHOF-OXLDDISOSA-N
XLogP5.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.56
LogP ≤ 55.35
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze methyl (2Z,4E,6E,8E,10E)-13-[tert-butyl(dimethyl)silyl]oxytrideca-2,4,6,8,10-pentaenoate with MolForge

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Related Compounds

ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 5468981
ethyl (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-10-oxodeca-2,4,8-trienoate
CID 11186803
methyl (E)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 13838010
methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 13838011
methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 134907379
[(2Z,4E,8Z)-1-[tert-butyl(dimethyl)silyl]oxyundeca-2,4,8-trien-6-yl] acetate
CID 134946270
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
(E)-ethyl 6-(tert-butyldimethylsilyloxy)hex-2-enoate
CID 10826090
(E)-5-(tert-butyl-dimethyl-silanyloxy)-pent-2-enoic acid methyl ester
CID 11630130
tert-butyl (2E,4E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylnona-2,4-dienoate
CID 11824407
ethyl (E,4R)-4-tri(propan-2-yl)silyloxyhex-2-enoate
CID 5468979
ethenyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate
CID 23394360

Frequently Asked Questions

What is the IUPAC name of methyl (2Z,4E,6E,8E,10E)-13-[tert-butyl(dimethyl)silyl]oxytrideca-2,4,6,8,10-pentaenoate?
The IUPAC name of methyl (2Z,4E,6E,8E,10E)-13-[tert-butyl(dimethyl)silyl]oxytrideca-2,4,6,8,10-pentaenoate (CID 134982239) is methyl (2Z,4E,6E,8E,10E)-13-[tert-butyl(dimethyl)silyl]oxytrideca-2,4,6,8,10-pentaenoate.
What is the SMILES notation for methyl (2Z,4E,6E,8E,10E)-13-[tert-butyl(dimethyl)silyl]oxytrideca-2,4,6,8,10-pentaenoate?
The canonical SMILES for methyl (2Z,4E,6E,8E,10E)-13-[tert-butyl(dimethyl)silyl]oxytrideca-2,4,6,8,10-pentaenoate is COC(=O)/C=C\C=C\C=C\C=C\C=C\CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2Z,4E,6E,8E,10E)-13-[tert-butyl(dimethyl)silyl]oxytrideca-2,4,6,8,10-pentaenoate?
The InChIKey is BZQCPAUEVQAHOF-OXLDDISOSA-N. The full InChI is InChI=1S/C20H32O3Si/c1-20(2,3)24(5,6)23-18-16-14-12-10-8-7-9-11-13-15-17-19(21)22-4/h7-15,17H,16,18H2,1-6H3/b9-7+,10-8+,13-11+,14-12+,17-15-.
What are the key properties of methyl (2Z,4E,6E,8E,10E)-13-[tert-butyl(dimethyl)silyl]oxytrideca-2,4,6,8,10-pentaenoate?
methyl (2Z,4E,6E,8E,10E)-13-[tert-butyl(dimethyl)silyl]oxytrideca-2,4,6,8,10-pentaenoate has a molecular weight of 348.56 g/mol, XLogP of 5.35, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z,4E,6E,8E,10E)-13-[tert-butyl(dimethyl)silyl]oxytrideca-2,4,6,8,10-pentaenoate is sourced from PubChem (CID 134982239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).