ethyl (4E,7E)-10-[tert-butyl(dimethyl)silyl]oxy-3,4,8-trimethyldeca-4,7-dienoate

C21H40O3Si — CID 101013086

IUPACethyl (4E,7E)-10-[tert-butyl(dimethyl)silyl]oxy-3,4,8-trimethyldeca-4,7-dienoate
SMILESCCOC(=O)CC(C)/C(C)=C/C/C=C(\C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H40O3Si/c1-10-23-20(22)16-19(4)18(3)13-11-12-17(2)14-15-24-25(8,9)21(5,6)7/h12-13,19H,10-11,14-16H2,1-9H3/b17-12+,18-13+
InChIKeyDZYFUNINQSLBLP-PWDIZTEBSA-N
MW368.63 g/mol
LogP6.27
Rot. Bonds10

About ethyl (4E,7E)-10-[tert-butyl(dimethyl)silyl]oxy-3,4,8-trimethyldeca-4,7-dienoate

ethyl (4E,7E)-10-[tert-butyl(dimethyl)silyl]oxy-3,4,8-trimethyldeca-4,7-dienoate (PubChem CID 101013086) has the molecular formula C21H40O3Si and a molecular weight of 368.63 g/mol. Its IUPAC name is ethyl (4E,7E)-10-[tert-butyl(dimethyl)silyl]oxy-3,4,8-trimethyldeca-4,7-dienoate.

Molecular Properties

Compound Nameethyl (4E,7E)-10-[tert-butyl(dimethyl)silyl]oxy-3,4,8-trimethyldeca-4,7-dienoate
PubChem CID101013086
Molecular FormulaC21H40O3Si
Molecular Weight368.63 g/mol
Exact Mass368.27
IUPAC Nameethyl (4E,7E)-10-[tert-butyl(dimethyl)silyl]oxy-3,4,8-trimethyldeca-4,7-dienoate
SMILESCCOC(=O)CC(C)/C(C)=C/C/C=C(\C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H40O3Si/c1-10-23-20(22)16-19(4)18(3)13-11-12-17(2)14-15-24-25(8,9)21(5,6)7/h12-13,19H,10-11,14-16H2,1-9H3/b17-12+,18-13+
InChIKeyDZYFUNINQSLBLP-PWDIZTEBSA-N
XLogP6.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.63
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (4E,7E)-10-[tert-butyl(dimethyl)silyl]oxy-3,4,8-trimethyldeca-4,7-dienoate?
The IUPAC name of ethyl (4E,7E)-10-[tert-butyl(dimethyl)silyl]oxy-3,4,8-trimethyldeca-4,7-dienoate (CID 101013086) is ethyl (4E,7E)-10-[tert-butyl(dimethyl)silyl]oxy-3,4,8-trimethyldeca-4,7-dienoate.
What is the SMILES notation for ethyl (4E,7E)-10-[tert-butyl(dimethyl)silyl]oxy-3,4,8-trimethyldeca-4,7-dienoate?
The canonical SMILES for ethyl (4E,7E)-10-[tert-butyl(dimethyl)silyl]oxy-3,4,8-trimethyldeca-4,7-dienoate is CCOC(=O)CC(C)/C(C)=C/C/C=C(\C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (4E,7E)-10-[tert-butyl(dimethyl)silyl]oxy-3,4,8-trimethyldeca-4,7-dienoate?
The InChIKey is DZYFUNINQSLBLP-PWDIZTEBSA-N. The full InChI is InChI=1S/C21H40O3Si/c1-10-23-20(22)16-19(4)18(3)13-11-12-17(2)14-15-24-25(8,9)21(5,6)7/h12-13,19H,10-11,14-16H2,1-9H3/b17-12+,18-13+.
What are the key properties of ethyl (4E,7E)-10-[tert-butyl(dimethyl)silyl]oxy-3,4,8-trimethyldeca-4,7-dienoate?
ethyl (4E,7E)-10-[tert-butyl(dimethyl)silyl]oxy-3,4,8-trimethyldeca-4,7-dienoate has a molecular weight of 368.63 g/mol, XLogP of 6.27, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4E,7E)-10-[tert-butyl(dimethyl)silyl]oxy-3,4,8-trimethyldeca-4,7-dienoate is sourced from PubChem (CID 101013086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).