ethyl (E)-6-trimethylsilyloxyhex-2-enoate

C11H22O3Si — CID 15947845

IUPACethyl (E)-6-trimethylsilyloxyhex-2-enoate
SMILESCCOC(=O)/C=C/CCCO[Si](C)(C)C
InChIInChI=1S/C11H22O3Si/c1-5-13-11(12)9-7-6-8-10-14-15(2,3)4/h7,9H,5-6,8,10H2,1-4H3/b9-7+
InChIKeyLJCHDMKVMVIDRZ-VQHVLOKHSA-N
MW230.38 g/mol
LogP2.74
Rot. Bonds7

About ethyl (E)-6-trimethylsilyloxyhex-2-enoate

ethyl (E)-6-trimethylsilyloxyhex-2-enoate (PubChem CID 15947845) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is ethyl (E)-6-trimethylsilyloxyhex-2-enoate.

Molecular Properties

Compound Nameethyl (E)-6-trimethylsilyloxyhex-2-enoate
PubChem CID15947845
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Nameethyl (E)-6-trimethylsilyloxyhex-2-enoate
SMILESCCOC(=O)/C=C/CCCO[Si](C)(C)C
InChIInChI=1S/C11H22O3Si/c1-5-13-11(12)9-7-6-8-10-14-15(2,3)4/h7,9H,5-6,8,10H2,1-4H3/b9-7+
InChIKeyLJCHDMKVMVIDRZ-VQHVLOKHSA-N
XLogP2.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.74
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'}

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Related Compounds

ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10826090
ethyl (E)-octadec-2-enoate
CID 10913939
ethyl tridec-2-enoate
CID 54010960
ethyl (E)-7-aminohept-2-enoate
CID 55267330
ethyl (2Z)-deca-2,9-dienoate
CID 141142906
ethyl 8-bromooct-2-enoate
CID 71343467
ethyl (E)-5-hydroxypent-2-enoate
CID 13062577
1-O-ethyl 7-O-methyl (E)-hept-2-enedioate
CID 140620855
ethyl (2E,8E)-undeca-2,8,10-trienoate
CID 15013142
ethyl (E)-7-hydroxyoct-2-enoate
CID 5368922
ethyl (E)-5-iodopent-2-enoate
CID 88671590
butyl icos-2-enoate
CID 91561454

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-6-trimethylsilyloxyhex-2-enoate?
The IUPAC name of ethyl (E)-6-trimethylsilyloxyhex-2-enoate (CID 15947845) is ethyl (E)-6-trimethylsilyloxyhex-2-enoate.
What is the SMILES notation for ethyl (E)-6-trimethylsilyloxyhex-2-enoate?
The canonical SMILES for ethyl (E)-6-trimethylsilyloxyhex-2-enoate is CCOC(=O)/C=C/CCCO[Si](C)(C)C.
What is the InChIKey of ethyl (E)-6-trimethylsilyloxyhex-2-enoate?
The InChIKey is LJCHDMKVMVIDRZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-5-13-11(12)9-7-6-8-10-14-15(2,3)4/h7,9H,5-6,8,10H2,1-4H3/b9-7+.
What are the key properties of ethyl (E)-6-trimethylsilyloxyhex-2-enoate?
ethyl (E)-6-trimethylsilyloxyhex-2-enoate has a molecular weight of 230.38 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-6-trimethylsilyloxyhex-2-enoate is sourced from PubChem (CID 15947845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).