methyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienoate

C15H28O3Si — CID 5366636

IUPACmethyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienoate
SMILESCOC(=O)/C=C/C=C/CC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-13(18-19(6,7)15(2,3)4)11-9-8-10-12-14(16)17-5/h8-10,12-13H,11H2,1-7H3/b9-8+,12-10+
InChIKeyPNQBEJGOMBNVCW-CDKJVOIVSA-N
MW284.47 g/mol
LogP4.07
Rot. Bonds6

About methyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienoate

methyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienoate (PubChem CID 5366636) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is methyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienoate
PubChem CID5366636
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Namemethyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienoate
SMILESCOC(=O)/C=C/C=C/CC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-13(18-19(6,7)15(2,3)4)11-9-8-10-12-14(16)17-5/h8-10,12-13H,11H2,1-7H3/b9-8+,12-10+
InChIKeyPNQBEJGOMBNVCW-CDKJVOIVSA-N
XLogP4.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 5468981
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6,6,6-trifluorohex-2-enoate
CID 11681414
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
(2Z,4E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylocta-2,4-dienoic acid
CID 134965983
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
(E)-ethyl 6-(tert-butyldimethylsilyloxy)hex-2-enoate
CID 10826090
2(5H)-Furanone, 5-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-, (S)-
CID 11042497
Methyl (2E)-7-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-heptenoate
CID 11208037

Frequently Asked Questions

What is the IUPAC name of methyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienoate?
The IUPAC name of methyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienoate (CID 5366636) is methyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienoate.
What is the SMILES notation for methyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienoate?
The canonical SMILES for methyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienoate is COC(=O)/C=C/C=C/CC(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienoate?
The InChIKey is PNQBEJGOMBNVCW-CDKJVOIVSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-13(18-19(6,7)15(2,3)4)11-9-8-10-12-14(16)17-5/h8-10,12-13H,11H2,1-7H3/b9-8+,12-10+.
What are the key properties of methyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienoate?
methyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienoate has a molecular weight of 284.47 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienoate is sourced from PubChem (CID 5366636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).