ethyl (3E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-3,5-dienoate

C17H32O3Si — CID 102150885

IUPACethyl (3E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-3,5-dienoate
SMILESC=C/C=C/C(CCCO[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C17H32O3Si/c1-8-10-12-15(16(18)19-9-2)13-11-14-20-21(6,7)17(3,4)5/h8,10,12,15H,1,9,11,13-14H2,2-7H3/b12-10+
InChIKeyKVOPSJJKHQWUAY-ZRDIBKRKSA-N
MW312.53 g/mol
LogP4.71
Rot. Bonds9

About ethyl (3E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-3,5-dienoate

ethyl (3E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-3,5-dienoate (PubChem CID 102150885) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is ethyl (3E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-3,5-dienoate.

Molecular Properties

Compound Nameethyl (3E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-3,5-dienoate
PubChem CID102150885
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Nameethyl (3E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-3,5-dienoate
SMILESC=C/C=C/C(CCCO[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C17H32O3Si/c1-8-10-12-15(16(18)19-9-2)13-11-14-20-21(6,7)17(3,4)5/h8,10,12,15H,1,9,11,13-14H2,2-7H3/b12-10+
InChIKeyKVOPSJJKHQWUAY-ZRDIBKRKSA-N
XLogP4.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.71
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethyl (2Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-methylidenecyclobutane-1-carboxylate
CID 134982348
ethyl (E)-7-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorohept-5-enoate
CID 102005487
Ethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-ethenylpentanoate
CID 87645916
methyl (E,2R,7S)-2,6,7-trimethyl-4-methylidene-9-tri(propan-2-yl)silyloxynon-5-enoate
CID 16756926
ethyl (E)-3-methyl-7-tri(propan-2-yl)silyloxyhept-4-enoate
CID 53260171
ethyl (E,3S)-3-methyl-7-tri(propan-2-yl)silyloxyhept-4-enoate
CID 57386466
ethyl (4E,7E)-10-[tert-butyl(dimethyl)silyl]oxy-3,4,8-trimethyldeca-4,7-dienoate
CID 101013086
methyl (5Z,7E)-8-[(4R,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-yl]octa-5,7-dienoate
CID 102518709

Frequently Asked Questions

What is the IUPAC name of ethyl (3E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-3,5-dienoate?
The IUPAC name of ethyl (3E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-3,5-dienoate (CID 102150885) is ethyl (3E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-3,5-dienoate.
What is the SMILES notation for ethyl (3E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-3,5-dienoate?
The canonical SMILES for ethyl (3E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-3,5-dienoate is C=C/C=C/C(CCCO[Si](C)(C)C(C)(C)C)C(=O)OCC.
What is the InChIKey of ethyl (3E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-3,5-dienoate?
The InChIKey is KVOPSJJKHQWUAY-ZRDIBKRKSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-8-10-12-15(16(18)19-9-2)13-11-14-20-21(6,7)17(3,4)5/h8,10,12,15H,1,9,11,13-14H2,2-7H3/b12-10+.
What are the key properties of ethyl (3E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-3,5-dienoate?
ethyl (3E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-3,5-dienoate has a molecular weight of 312.53 g/mol, XLogP of 4.71, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-3,5-dienoate is sourced from PubChem (CID 102150885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).