trimethylsilyl (2E)-2-propylpenta-2,4-dienoate

C11H20O2Si — CID 5352354

IUPACtrimethylsilyl (2E)-2-propylpenta-2,4-dienoate
SMILESC=C/C=C(\CCC)C(=O)O[Si](C)(C)C
InChIInChI=1S/C11H20O2Si/c1-6-8-10(9-7-2)11(12)13-14(3,4)5/h6,8H,1,7,9H2,2-5H3/b10-8+
InChIKeyZBHJWNSDUDQMRV-CSKARUKUSA-N
MW212.36 g/mol
LogP3.28
Rot. Bonds5

About trimethylsilyl (2E)-2-propylpenta-2,4-dienoate

trimethylsilyl (2E)-2-propylpenta-2,4-dienoate (PubChem CID 5352354) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is trimethylsilyl (2E)-2-propylpenta-2,4-dienoate.

Molecular Properties

Compound Nametrimethylsilyl (2E)-2-propylpenta-2,4-dienoate
PubChem CID5352354
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Nametrimethylsilyl (2E)-2-propylpenta-2,4-dienoate
SMILESC=C/C=C(\CCC)C(=O)O[Si](C)(C)C
InChIInChI=1S/C11H20O2Si/c1-6-8-10(9-7-2)11(12)13-14(3,4)5/h6,8H,1,7,9H2,2-5H3/b10-8+
InChIKeyZBHJWNSDUDQMRV-CSKARUKUSA-N
XLogP3.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.28
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

trimethylsilyl (E)-2-propylpent-2-enoate
CID 5352357
trimethylsilyl 2-oxopentanoate
CID 530075
ethane;(3Z,5Z)-5-ethyl-4-propylhepta-1,3,5-triene
CID 143333904
trimethylsilyl (Z)-2-propyl-3-trimethylsilyloxypent-2-enoate
CID 5352358
(3E,5Z)-4-ethoxy-5-ethylideneocta-1,3-diene
CID 143486696
ethane;(2E,3Z)-2-ethylidene-3-propylhexa-3,5-dienal
CID 143778379
trimethylsilyl 2-methylidenebut-3-enoate
CID 19933334
trimethylsilyl (2Z)-2-methoxyiminopentanoate
CID 5366686
trimethylsilyl (Z)-2-trimethylsilyloxyoct-2-enoate
CID 5366591
silyl 2-ethylidenepentanoate
CID 174944485
methyl (2E)-3-methylidene-4-oxo-2-prop-2-enylideneoctanoate
CID 143103272
trimethylsilyl 2-methyl-3-trimethylsilyloxyhex-2-eneperoxoate
CID 173459969

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (2E)-2-propylpenta-2,4-dienoate?
The IUPAC name of trimethylsilyl (2E)-2-propylpenta-2,4-dienoate (CID 5352354) is trimethylsilyl (2E)-2-propylpenta-2,4-dienoate.
What is the SMILES notation for trimethylsilyl (2E)-2-propylpenta-2,4-dienoate?
The canonical SMILES for trimethylsilyl (2E)-2-propylpenta-2,4-dienoate is C=C/C=C(\CCC)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (2E)-2-propylpenta-2,4-dienoate?
The InChIKey is ZBHJWNSDUDQMRV-CSKARUKUSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-6-8-10(9-7-2)11(12)13-14(3,4)5/h6,8H,1,7,9H2,2-5H3/b10-8+.
What are the key properties of trimethylsilyl (2E)-2-propylpenta-2,4-dienoate?
trimethylsilyl (2E)-2-propylpenta-2,4-dienoate has a molecular weight of 212.36 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (2E)-2-propylpenta-2,4-dienoate is sourced from PubChem (CID 5352354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).