methyl (2E,4E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methoxyhepta-2,4-dienoate

C15H28O4Si — CID 101202964

IUPACmethyl (2E,4E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methoxyhepta-2,4-dienoate
SMILESCOC(=O)/C=C/C=C/[C@@H](CO[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C15H28O4Si/c1-15(2,3)20(6,7)19-12-13(17-4)10-8-9-11-14(16)18-5/h8-11,13H,12H2,1-7H3/b10-8+,11-9+/t13-/m0/s1
InChIKeyRVDZICZXYHLXGN-BNEUVSEWSA-N
MW300.47 g/mol
LogP3.31
Rot. Bonds7

About methyl (2E,4E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methoxyhepta-2,4-dienoate

methyl (2E,4E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methoxyhepta-2,4-dienoate (PubChem CID 101202964) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is methyl (2E,4E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methoxyhepta-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2E,4E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methoxyhepta-2,4-dienoate
PubChem CID101202964
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Namemethyl (2E,4E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methoxyhepta-2,4-dienoate
SMILESCOC(=O)/C=C/C=C/[C@@H](CO[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C15H28O4Si/c1-15(2,3)20(6,7)19-12-13(17-4)10-8-9-11-14(16)18-5/h8-11,13H,12H2,1-7H3/b10-8+,11-9+/t13-/m0/s1
InChIKeyRVDZICZXYHLXGN-BNEUVSEWSA-N
XLogP3.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (2E,4E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methoxyhepta-2,4-dienoate with MolForge

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Related Compounds

(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2H-furan-5-one
CID 10538149
ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 5468981
Fur020
CID 9992141
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
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
2(5H)-Furanone, 5-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-, (S)-
CID 11042497
(E)-5-(tert-butyl-dimethyl-silanyloxy)-pent-2-enoic acid methyl ester
CID 11630130
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-2H-furan-5-one
CID 15403702
5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorofuran-2-one
CID 67491964

Frequently Asked Questions

What is the IUPAC name of methyl (2E,4E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methoxyhepta-2,4-dienoate?
The IUPAC name of methyl (2E,4E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methoxyhepta-2,4-dienoate (CID 101202964) is methyl (2E,4E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methoxyhepta-2,4-dienoate.
What is the SMILES notation for methyl (2E,4E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methoxyhepta-2,4-dienoate?
The canonical SMILES for methyl (2E,4E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methoxyhepta-2,4-dienoate is COC(=O)/C=C/C=C/[C@@H](CO[Si](C)(C)C(C)(C)C)OC.
What is the InChIKey of methyl (2E,4E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methoxyhepta-2,4-dienoate?
The InChIKey is RVDZICZXYHLXGN-BNEUVSEWSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-15(2,3)20(6,7)19-12-13(17-4)10-8-9-11-14(16)18-5/h8-11,13H,12H2,1-7H3/b10-8+,11-9+/t13-/m0/s1.
What are the key properties of methyl (2E,4E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methoxyhepta-2,4-dienoate?
methyl (2E,4E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methoxyhepta-2,4-dienoate has a molecular weight of 300.47 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methoxyhepta-2,4-dienoate is sourced from PubChem (CID 101202964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).