prop-2-enyl 2-[dimethoxy(2-trimethylsilylethyl)silyl]oxyprop-2-enoate

C13H26O5Si2 — CID 87532964

IUPACprop-2-enyl 2-[dimethoxy(2-trimethylsilylethyl)silyl]oxyprop-2-enoate
SMILESC=CCOC(=O)C(=C)O[Si](CC[Si](C)(C)C)(OC)OC
InChIInChI=1S/C13H26O5Si2/c1-8-9-17-13(14)12(2)18-20(15-3,16-4)11-10-19(5,6)7/h8H,1-2,9-11H2,3-7H3
InChIKeyZYDGNKTUUXNWBC-UHFFFAOYSA-N
MW318.52 g/mol
LogP2.82
Rot. Bonds10

About prop-2-enyl 2-[dimethoxy(2-trimethylsilylethyl)silyl]oxyprop-2-enoate

prop-2-enyl 2-[dimethoxy(2-trimethylsilylethyl)silyl]oxyprop-2-enoate (PubChem CID 87532964) has the molecular formula C13H26O5Si2 and a molecular weight of 318.52 g/mol. Its IUPAC name is prop-2-enyl 2-[dimethoxy(2-trimethylsilylethyl)silyl]oxyprop-2-enoate.

Molecular Properties

Compound Nameprop-2-enyl 2-[dimethoxy(2-trimethylsilylethyl)silyl]oxyprop-2-enoate
PubChem CID87532964
Molecular FormulaC13H26O5Si2
Molecular Weight318.52 g/mol
Exact Mass318.13
IUPAC Nameprop-2-enyl 2-[dimethoxy(2-trimethylsilylethyl)silyl]oxyprop-2-enoate
SMILESC=CCOC(=O)C(=C)O[Si](CC[Si](C)(C)C)(OC)OC
InChIInChI=1S/C13H26O5Si2/c1-8-9-17-13(14)12(2)18-20(15-3,16-4)11-10-19(5,6)7/h8H,1-2,9-11H2,3-7H3
InChIKeyZYDGNKTUUXNWBC-UHFFFAOYSA-N
XLogP2.82
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.52
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[dimethoxy(2-trimethylsilylethyl)silyl]oxyprop-2-enoate?
The IUPAC name of prop-2-enyl 2-[dimethoxy(2-trimethylsilylethyl)silyl]oxyprop-2-enoate (CID 87532964) is prop-2-enyl 2-[dimethoxy(2-trimethylsilylethyl)silyl]oxyprop-2-enoate.
What is the SMILES notation for prop-2-enyl 2-[dimethoxy(2-trimethylsilylethyl)silyl]oxyprop-2-enoate?
The canonical SMILES for prop-2-enyl 2-[dimethoxy(2-trimethylsilylethyl)silyl]oxyprop-2-enoate is C=CCOC(=O)C(=C)O[Si](CC[Si](C)(C)C)(OC)OC.
What is the InChIKey of prop-2-enyl 2-[dimethoxy(2-trimethylsilylethyl)silyl]oxyprop-2-enoate?
The InChIKey is ZYDGNKTUUXNWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5Si2/c1-8-9-17-13(14)12(2)18-20(15-3,16-4)11-10-19(5,6)7/h8H,1-2,9-11H2,3-7H3.
What are the key properties of prop-2-enyl 2-[dimethoxy(2-trimethylsilylethyl)silyl]oxyprop-2-enoate?
prop-2-enyl 2-[dimethoxy(2-trimethylsilylethyl)silyl]oxyprop-2-enoate has a molecular weight of 318.52 g/mol, XLogP of 2.82, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-[dimethoxy(2-trimethylsilylethyl)silyl]oxyprop-2-enoate is sourced from PubChem (CID 87532964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).