ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxydec-4-enoate

C18H36O3Si — CID 100916411

IUPACethyl (E)-3-[tert-butyl(dimethyl)silyl]oxydec-4-enoate
SMILESCCCCC/C=C/C(CC(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O3Si/c1-8-10-11-12-13-14-16(15-17(19)20-9-2)21-22(6,7)18(3,4)5/h13-14,16H,8-12,15H2,1-7H3/b14-13+
InChIKeyOCWKBXXMGMRYDM-BUHFOSPRSA-N
MW328.57 g/mol
LogP5.47
Rot. Bonds10

About ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxydec-4-enoate

ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxydec-4-enoate (PubChem CID 100916411) has the molecular formula C18H36O3Si and a molecular weight of 328.57 g/mol. Its IUPAC name is ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxydec-4-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[tert-butyl(dimethyl)silyl]oxydec-4-enoate
PubChem CID100916411
Molecular FormulaC18H36O3Si
Molecular Weight328.57 g/mol
Exact Mass328.24
IUPAC Nameethyl (E)-3-[tert-butyl(dimethyl)silyl]oxydec-4-enoate
SMILESCCCCC/C=C/C(CC(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O3Si/c1-8-10-11-12-13-14-16(15-17(19)20-9-2)21-22(6,7)18(3,4)5/h13-14,16H,8-12,15H2,1-7H3/b14-13+
InChIKeyOCWKBXXMGMRYDM-BUHFOSPRSA-N
XLogP5.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.57
LogP ≤ 55.47
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxydec-4-enoate?
The IUPAC name of ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxydec-4-enoate (CID 100916411) is ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxydec-4-enoate.
What is the SMILES notation for ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxydec-4-enoate?
The canonical SMILES for ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxydec-4-enoate is CCCCC/C=C/C(CC(=O)OCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxydec-4-enoate?
The InChIKey is OCWKBXXMGMRYDM-BUHFOSPRSA-N. The full InChI is InChI=1S/C18H36O3Si/c1-8-10-11-12-13-14-16(15-17(19)20-9-2)21-22(6,7)18(3,4)5/h13-14,16H,8-12,15H2,1-7H3/b14-13+.
What are the key properties of ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxydec-4-enoate?
ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxydec-4-enoate has a molecular weight of 328.57 g/mol, XLogP of 5.47, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxydec-4-enoate is sourced from PubChem (CID 100916411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).