ethyl (2E,4E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-2,4-dienoate

C17H32O3Si — CID 102150888

IUPACethyl (2E,4E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-2,4-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/h8,10,12H,9,11,13-14H2,1-7H3/b10-8+,15-12+
InChIKeyQACANYBMVAAGHJ-VBONDNGNSA-N
MW312.53 g/mol
LogP4.85
Rot. Bonds8

About ethyl (2E,4E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-2,4-dienoate

ethyl (2E,4E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-2,4-dienoate (PubChem CID 102150888) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is ethyl (2E,4E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-2,4-dienoate.

Molecular Properties

Compound Nameethyl (2E,4E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-2,4-dienoate
PubChem CID102150888
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Nameethyl (2E,4E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-2,4-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/h8,10,12H,9,11,13-14H2,1-7H3/b10-8+,15-12+
InChIKeyQACANYBMVAAGHJ-VBONDNGNSA-N
XLogP4.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.85
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-2,4-dienoate?
The IUPAC name of ethyl (2E,4E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-2,4-dienoate (CID 102150888) is ethyl (2E,4E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-2,4-dienoate.
What is the SMILES notation for ethyl (2E,4E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-2,4-dienoate?
The canonical SMILES for ethyl (2E,4E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-2,4-dienoate is C/C=C/C=C(\CCCO[Si](C)(C)C(C)(C)C)C(=O)OCC.
What is the InChIKey of ethyl (2E,4E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-2,4-dienoate?
The InChIKey is QACANYBMVAAGHJ-VBONDNGNSA-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/h8,10,12H,9,11,13-14H2,1-7H3/b10-8+,15-12+.
What are the key properties of ethyl (2E,4E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-2,4-dienoate?
ethyl (2E,4E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-2,4-dienoate has a molecular weight of 312.53 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,4E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-2,4-dienoate is sourced from PubChem (CID 102150888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).