ethyl (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-10-oxodeca-2,4,8-trienoate

C18H30O4Si — CID 11186803

IUPACethyl (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-10-oxodeca-2,4,8-trienoate
SMILESCCOC(=O)/C=C\C=C\C[C@@H](/C=C/C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H30O4Si/c1-7-21-17(20)14-10-8-9-12-16(13-11-15-19)22-23(5,6)18(2,3)4/h8-11,13-16H,7,12H2,1-6H3/b9-8+,13-11+,14-10-/t16-/m0/s1
InChIKeyJWCMEJPAOQMOAX-IMSLDAJHSA-N
MW338.52 g/mol
LogP4.20
Rot. Bonds9

About ethyl (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-10-oxodeca-2,4,8-trienoate

ethyl (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-10-oxodeca-2,4,8-trienoate (PubChem CID 11186803) has the molecular formula C18H30O4Si and a molecular weight of 338.52 g/mol. Its IUPAC name is ethyl (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-10-oxodeca-2,4,8-trienoate.

Molecular Properties

Compound Nameethyl (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-10-oxodeca-2,4,8-trienoate
PubChem CID11186803
Molecular FormulaC18H30O4Si
Molecular Weight338.52 g/mol
Exact Mass338.19
IUPAC Nameethyl (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-10-oxodeca-2,4,8-trienoate
SMILESCCOC(=O)/C=C\C=C\C[C@@H](/C=C/C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H30O4Si/c1-7-21-17(20)14-10-8-9-12-16(13-11-15-19)22-23(5,6)18(2,3)4/h8-11,13-16H,7,12H2,1-6H3/b9-8+,13-11+,14-10-/t16-/m0/s1
InChIKeyJWCMEJPAOQMOAX-IMSLDAJHSA-N
XLogP4.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 ethyl (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-10-oxodeca-2,4,8-trienoate with MolForge

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Related Compounds

[(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
ethyl (E,4R)-4-tri(propan-2-yl)silyloxyhex-2-enoate
CID 5468979
diethyl (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedioate
CID 10838660
ethyl (E,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 10901315
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydropyran-6-one
CID 10955748
(3Z,5E,8S,9E,11Z,14S,16R,17E,19E,24R)-8-[tert-butyl(dimethyl)silyl]oxy-24-methyl-14,16-bis(triethylsilyloxy)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
CID 10974685
methyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienoate
CID 11043847
methyl (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 11097260
ethyl (2E,4S)-4-[(tert-butyldimethylsilyl)oxy]pent-2-enoate
CID 11118755
(2E,4E,6R)-8-[tert-butyl(dimethyl)silyl]oxy-6-methoxyocta-2,4-dienal
CID 11140643
ethyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienoate
CID 11150309

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-10-oxodeca-2,4,8-trienoate?
The IUPAC name of ethyl (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-10-oxodeca-2,4,8-trienoate (CID 11186803) is ethyl (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-10-oxodeca-2,4,8-trienoate.
What is the SMILES notation for ethyl (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-10-oxodeca-2,4,8-trienoate?
The canonical SMILES for ethyl (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-10-oxodeca-2,4,8-trienoate is CCOC(=O)/C=C\C=C\C[C@@H](/C=C/C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-10-oxodeca-2,4,8-trienoate?
The InChIKey is JWCMEJPAOQMOAX-IMSLDAJHSA-N. The full InChI is InChI=1S/C18H30O4Si/c1-7-21-17(20)14-10-8-9-12-16(13-11-15-19)22-23(5,6)18(2,3)4/h8-11,13-16H,7,12H2,1-6H3/b9-8+,13-11+,14-10-/t16-/m0/s1.
What are the key properties of ethyl (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-10-oxodeca-2,4,8-trienoate?
ethyl (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-10-oxodeca-2,4,8-trienoate has a molecular weight of 338.52 g/mol, XLogP of 4.20, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-10-oxodeca-2,4,8-trienoate is sourced from PubChem (CID 11186803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).