ethyl (2E,5E)-3-methyl-6-trimethylsilylhexa-2,5-dienoate

C12H22O2Si — CID 102415960

IUPACethyl (2E,5E)-3-methyl-6-trimethylsilylhexa-2,5-dienoate
SMILESCCOC(=O)/C=C(\C)C/C=C/[Si](C)(C)C
InChIInChI=1S/C12H22O2Si/c1-6-14-12(13)10-11(2)8-7-9-15(3,4)5/h7,9-10H,6,8H2,1-5H3/b9-7+,11-10+
InChIKeyHTUHAYMZRJKKEG-RJECPTDASA-N
MW226.39 g/mol
LogP3.32
Rot. Bonds5

About ethyl (2E,5E)-3-methyl-6-trimethylsilylhexa-2,5-dienoate

ethyl (2E,5E)-3-methyl-6-trimethylsilylhexa-2,5-dienoate (PubChem CID 102415960) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is ethyl (2E,5E)-3-methyl-6-trimethylsilylhexa-2,5-dienoate.

Molecular Properties

Compound Nameethyl (2E,5E)-3-methyl-6-trimethylsilylhexa-2,5-dienoate
PubChem CID102415960
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Nameethyl (2E,5E)-3-methyl-6-trimethylsilylhexa-2,5-dienoate
SMILESCCOC(=O)/C=C(\C)C/C=C/[Si](C)(C)C
InChIInChI=1S/C12H22O2Si/c1-6-14-12(13)10-11(2)8-7-9-15(3,4)5/h7,9-10H,6,8H2,1-5H3/b9-7+,11-10+
InChIKeyHTUHAYMZRJKKEG-RJECPTDASA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 3,7-dimethylocta-2,6-dienoate
CID 114614
Ethyl 3,7-dimethyl-2,6-octadienoate
CID 5365917
(,E)-3,7-Dimethyl-2,6-octadienyl 2-butenoate
CID 5980396
2,6-Octadienoic acid, 3,7-dimethyl-, ethyl ester
CID 5317247
(E)-2-Hexenyl 2-methyl-(E)-2-butenoate
CID 5353010
2-Butenoic acid, (2E)-3,7-dimethyl-2,6-octadienyl ester
CID 131881186
Z-3-Hexenyl tiglate
CID 5352469
3-Hexenyl 3-methylisocrotonate
CID 6436994
(3E,7E,11E)-4,8,12-trimethyl-1-oxacyclotrideca-3,7,11-trien-2-one
CID 134897859
Hex-2-enyl 2-methylbut-2-enoate
CID 527119
allyl (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoate
CID 5275510
(3Z)-3-Hexen-1-yl 3-methyl-2-butenoate
CID 20838768

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,5E)-3-methyl-6-trimethylsilylhexa-2,5-dienoate?
The IUPAC name of ethyl (2E,5E)-3-methyl-6-trimethylsilylhexa-2,5-dienoate (CID 102415960) is ethyl (2E,5E)-3-methyl-6-trimethylsilylhexa-2,5-dienoate.
What is the SMILES notation for ethyl (2E,5E)-3-methyl-6-trimethylsilylhexa-2,5-dienoate?
The canonical SMILES for ethyl (2E,5E)-3-methyl-6-trimethylsilylhexa-2,5-dienoate is CCOC(=O)/C=C(\C)C/C=C/[Si](C)(C)C.
What is the InChIKey of ethyl (2E,5E)-3-methyl-6-trimethylsilylhexa-2,5-dienoate?
The InChIKey is HTUHAYMZRJKKEG-RJECPTDASA-N. The full InChI is InChI=1S/C12H22O2Si/c1-6-14-12(13)10-11(2)8-7-9-15(3,4)5/h7,9-10H,6,8H2,1-5H3/b9-7+,11-10+.
What are the key properties of ethyl (2E,5E)-3-methyl-6-trimethylsilylhexa-2,5-dienoate?
ethyl (2E,5E)-3-methyl-6-trimethylsilylhexa-2,5-dienoate has a molecular weight of 226.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,5E)-3-methyl-6-trimethylsilylhexa-2,5-dienoate is sourced from PubChem (CID 102415960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).