prop-2-enyl 2-trimethylsilyloxyprop-2-enoate

C9H16O3Si — CID 58817301

IUPACprop-2-enyl 2-trimethylsilyloxyprop-2-enoate
SMILESC=CCOC(=O)C(=C)O[Si](C)(C)C
InChIInChI=1S/C9H16O3Si/c1-6-7-11-9(10)8(2)12-13(3,4)5/h6H,1-2,7H2,3-5H3
InChIKeyHHONWEJZYCGOHM-UHFFFAOYSA-N
MW200.31 g/mol
LogP2.08
Rot. Bonds5

About prop-2-enyl 2-trimethylsilyloxyprop-2-enoate

prop-2-enyl 2-trimethylsilyloxyprop-2-enoate (PubChem CID 58817301) has the molecular formula C9H16O3Si and a molecular weight of 200.31 g/mol. Its IUPAC name is prop-2-enyl 2-trimethylsilyloxyprop-2-enoate.

Molecular Properties

Compound Nameprop-2-enyl 2-trimethylsilyloxyprop-2-enoate
PubChem CID58817301
Molecular FormulaC9H16O3Si
Molecular Weight200.31 g/mol
Exact Mass200.09
IUPAC Nameprop-2-enyl 2-trimethylsilyloxyprop-2-enoate
SMILESC=CCOC(=O)C(=C)O[Si](C)(C)C
InChIInChI=1S/C9H16O3Si/c1-6-7-11-9(10)8(2)12-13(3,4)5/h6H,1-2,7H2,3-5H3
InChIKeyHHONWEJZYCGOHM-UHFFFAOYSA-N
XLogP2.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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': '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 prop-2-enyl 2-trimethylsilyloxyprop-2-enoate?
The IUPAC name of prop-2-enyl 2-trimethylsilyloxyprop-2-enoate (CID 58817301) is prop-2-enyl 2-trimethylsilyloxyprop-2-enoate.
What is the SMILES notation for prop-2-enyl 2-trimethylsilyloxyprop-2-enoate?
The canonical SMILES for prop-2-enyl 2-trimethylsilyloxyprop-2-enoate is C=CCOC(=O)C(=C)O[Si](C)(C)C.
What is the InChIKey of prop-2-enyl 2-trimethylsilyloxyprop-2-enoate?
The InChIKey is HHONWEJZYCGOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3Si/c1-6-7-11-9(10)8(2)12-13(3,4)5/h6H,1-2,7H2,3-5H3.
What are the key properties of prop-2-enyl 2-trimethylsilyloxyprop-2-enoate?
prop-2-enyl 2-trimethylsilyloxyprop-2-enoate has a molecular weight of 200.31 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-trimethylsilyloxyprop-2-enoate is sourced from PubChem (CID 58817301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).