ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2E)-penta-2,4-dienoxy]pent-2-enoate

C18H32O4Si — CID 10860762

IUPACethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2E)-penta-2,4-dienoxy]pent-2-enoate
SMILESC=C/C=C/COC(/C=C/C(=O)OCC)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O4Si/c1-8-10-11-14-21-16(12-13-17(19)20-9-2)15-22-23(6,7)18(3,4)5/h8,10-13,16H,1,9,14-15H2,2-7H3/b11-10+,13-12+
InChIKeyNLCXXMWEQSQLRD-AQASXUMVSA-N
MW340.54 g/mol
LogP4.25
Rot. Bonds10

About ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2E)-penta-2,4-dienoxy]pent-2-enoate

ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2E)-penta-2,4-dienoxy]pent-2-enoate (PubChem CID 10860762) has the molecular formula C18H32O4Si and a molecular weight of 340.54 g/mol. Its IUPAC name is ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2E)-penta-2,4-dienoxy]pent-2-enoate.

Molecular Properties

Compound Nameethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2E)-penta-2,4-dienoxy]pent-2-enoate
PubChem CID10860762
Molecular FormulaC18H32O4Si
Molecular Weight340.54 g/mol
Exact Mass340.21
IUPAC Nameethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2E)-penta-2,4-dienoxy]pent-2-enoate
SMILESC=C/C=C/COC(/C=C/C(=O)OCC)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O4Si/c1-8-10-11-14-21-16(12-13-17(19)20-9-2)15-22-23(6,7)18(3,4)5/h8,10-13,16H,1,9,14-15H2,2-7H3/b11-10+,13-12+
InChIKeyNLCXXMWEQSQLRD-AQASXUMVSA-N
XLogP4.25
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 54.25
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'}

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Related Compounds

ethyl (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-10-oxodeca-2,4,8-trienoate
CID 11186803
[(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
2(5H)-Furanone, 5-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-, (S)-
CID 11042497
ethyl (E,4R)-4-tri(propan-2-yl)silyloxyhex-2-enoate
CID 5468979
ethyl (2E,4E)-5-[(2R,3S,4E)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2-ethoxy-2-oxoethylidene)oxan-2-yl]penta-2,4-dienoate
CID 15934810
ethyl (Z)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-fluoropent-2-enoate
CID 89641720
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
CID 10220446
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

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2E)-penta-2,4-dienoxy]pent-2-enoate?
The IUPAC name of ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2E)-penta-2,4-dienoxy]pent-2-enoate (CID 10860762) is ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2E)-penta-2,4-dienoxy]pent-2-enoate.
What is the SMILES notation for ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2E)-penta-2,4-dienoxy]pent-2-enoate?
The canonical SMILES for ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2E)-penta-2,4-dienoxy]pent-2-enoate is C=C/C=C/COC(/C=C/C(=O)OCC)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2E)-penta-2,4-dienoxy]pent-2-enoate?
The InChIKey is NLCXXMWEQSQLRD-AQASXUMVSA-N. The full InChI is InChI=1S/C18H32O4Si/c1-8-10-11-14-21-16(12-13-17(19)20-9-2)15-22-23(6,7)18(3,4)5/h8,10-13,16H,1,9,14-15H2,2-7H3/b11-10+,13-12+.
What are the key properties of ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2E)-penta-2,4-dienoxy]pent-2-enoate?
ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2E)-penta-2,4-dienoxy]pent-2-enoate has a molecular weight of 340.54 g/mol, XLogP of 4.25, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2E)-penta-2,4-dienoxy]pent-2-enoate is sourced from PubChem (CID 10860762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).