ethyl (2E,7Z)-5,5-dimethyl-10-trimethylsilyldeca-2,7-dienoate

C17H32O2Si — CID 14617539

IUPACethyl (2E,7Z)-5,5-dimethyl-10-trimethylsilyldeca-2,7-dienoate
SMILESCCOC(=O)/C=C/CC(C)(C)C/C=C\CC[Si](C)(C)C
InChIInChI=1S/C17H32O2Si/c1-7-19-16(18)12-11-14-17(2,3)13-9-8-10-15-20(4,5)6/h8-9,11-12H,7,10,13-15H2,1-6H3/b9-8-,12-11+
InChIKeyDMHIALXPNQBHMW-UONSLQGUSA-N
MW296.53 g/mol
LogP5.20
Rot. Bonds9

About ethyl (2E,7Z)-5,5-dimethyl-10-trimethylsilyldeca-2,7-dienoate

ethyl (2E,7Z)-5,5-dimethyl-10-trimethylsilyldeca-2,7-dienoate (PubChem CID 14617539) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is ethyl (2E,7Z)-5,5-dimethyl-10-trimethylsilyldeca-2,7-dienoate.

Molecular Properties

Compound Nameethyl (2E,7Z)-5,5-dimethyl-10-trimethylsilyldeca-2,7-dienoate
PubChem CID14617539
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Nameethyl (2E,7Z)-5,5-dimethyl-10-trimethylsilyldeca-2,7-dienoate
SMILESCCOC(=O)/C=C/CC(C)(C)C/C=C\CC[Si](C)(C)C
InChIInChI=1S/C17H32O2Si/c1-7-19-16(18)12-11-14-17(2,3)13-9-8-10-15-20(4,5)6/h8-9,11-12H,7,10,13-15H2,1-6H3/b9-8-,12-11+
InChIKeyDMHIALXPNQBHMW-UONSLQGUSA-N
XLogP5.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.53
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2E,7Z)-5,5-dimethyl-10-trimethylsilyldeca-2,7-dienoate?
The IUPAC name of ethyl (2E,7Z)-5,5-dimethyl-10-trimethylsilyldeca-2,7-dienoate (CID 14617539) is ethyl (2E,7Z)-5,5-dimethyl-10-trimethylsilyldeca-2,7-dienoate.
What is the SMILES notation for ethyl (2E,7Z)-5,5-dimethyl-10-trimethylsilyldeca-2,7-dienoate?
The canonical SMILES for ethyl (2E,7Z)-5,5-dimethyl-10-trimethylsilyldeca-2,7-dienoate is CCOC(=O)/C=C/CC(C)(C)C/C=C\CC[Si](C)(C)C.
What is the InChIKey of ethyl (2E,7Z)-5,5-dimethyl-10-trimethylsilyldeca-2,7-dienoate?
The InChIKey is DMHIALXPNQBHMW-UONSLQGUSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-7-19-16(18)12-11-14-17(2,3)13-9-8-10-15-20(4,5)6/h8-9,11-12H,7,10,13-15H2,1-6H3/b9-8-,12-11+.
What are the key properties of ethyl (2E,7Z)-5,5-dimethyl-10-trimethylsilyldeca-2,7-dienoate?
ethyl (2E,7Z)-5,5-dimethyl-10-trimethylsilyldeca-2,7-dienoate has a molecular weight of 296.53 g/mol, XLogP of 5.20, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,7Z)-5,5-dimethyl-10-trimethylsilyldeca-2,7-dienoate is sourced from PubChem (CID 14617539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).