methyl (2Z)-3-trimethylsilyloxypenta-2,4-dienoate

C9H16O3Si — CID 134900752

IUPACmethyl (2Z)-3-trimethylsilyloxypenta-2,4-dienoate
SMILESC=C/C(=C/C(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C9H16O3Si/c1-6-8(7-9(10)11-2)12-13(3,4)5/h6-7H,1H2,2-5H3/b8-7-
InChIKeyYVLLZNAUHTUMDS-FPLPWBNLSA-N
MW200.31 g/mol
LogP2.08
Rot. Bonds4

About methyl (2Z)-3-trimethylsilyloxypenta-2,4-dienoate

methyl (2Z)-3-trimethylsilyloxypenta-2,4-dienoate (PubChem CID 134900752) has the molecular formula C9H16O3Si and a molecular weight of 200.31 g/mol. Its IUPAC name is methyl (2Z)-3-trimethylsilyloxypenta-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2Z)-3-trimethylsilyloxypenta-2,4-dienoate
PubChem CID134900752
Molecular FormulaC9H16O3Si
Molecular Weight200.31 g/mol
Exact Mass200.09
IUPAC Namemethyl (2Z)-3-trimethylsilyloxypenta-2,4-dienoate
SMILESC=C/C(=C/C(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C9H16O3Si/c1-6-8(7-9(10)11-2)12-13(3,4)5/h6-7H,1H2,2-5H3/b8-7-
InChIKeyYVLLZNAUHTUMDS-FPLPWBNLSA-N
XLogP2.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-3-trimethylsilyloxypenta-2,4-dienoate?
The IUPAC name of methyl (2Z)-3-trimethylsilyloxypenta-2,4-dienoate (CID 134900752) is methyl (2Z)-3-trimethylsilyloxypenta-2,4-dienoate.
What is the SMILES notation for methyl (2Z)-3-trimethylsilyloxypenta-2,4-dienoate?
The canonical SMILES for methyl (2Z)-3-trimethylsilyloxypenta-2,4-dienoate is C=C/C(=C/C(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl (2Z)-3-trimethylsilyloxypenta-2,4-dienoate?
The InChIKey is YVLLZNAUHTUMDS-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H16O3Si/c1-6-8(7-9(10)11-2)12-13(3,4)5/h6-7H,1H2,2-5H3/b8-7-.
What are the key properties of methyl (2Z)-3-trimethylsilyloxypenta-2,4-dienoate?
methyl (2Z)-3-trimethylsilyloxypenta-2,4-dienoate has a molecular weight of 200.31 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-3-trimethylsilyloxypenta-2,4-dienoate is sourced from PubChem (CID 134900752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).