propyl (Z)-3-trimethylsilyloxybut-2-enoate

C10H20O3Si — CID 140795481

IUPACpropyl (Z)-3-trimethylsilyloxybut-2-enoate
SMILESCCCOC(=O)/C=C(/C)O[Si](C)(C)C
InChIInChI=1S/C10H20O3Si/c1-6-7-12-10(11)8-9(2)13-14(3,4)5/h8H,6-7H2,1-5H3/b9-8-
InChIKeyADPOYIVZGKMSHR-HJWRWDBZSA-N
MW216.35 g/mol
LogP2.69
Rot. Bonds5

About propyl (Z)-3-trimethylsilyloxybut-2-enoate

propyl (Z)-3-trimethylsilyloxybut-2-enoate (PubChem CID 140795481) has the molecular formula C10H20O3Si and a molecular weight of 216.35 g/mol. Its IUPAC name is propyl (Z)-3-trimethylsilyloxybut-2-enoate.

Molecular Properties

Compound Namepropyl (Z)-3-trimethylsilyloxybut-2-enoate
PubChem CID140795481
Molecular FormulaC10H20O3Si
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Namepropyl (Z)-3-trimethylsilyloxybut-2-enoate
SMILESCCCOC(=O)/C=C(/C)O[Si](C)(C)C
InChIInChI=1S/C10H20O3Si/c1-6-7-12-10(11)8-9(2)13-14(3,4)5/h8H,6-7H2,1-5H3/b9-8-
InChIKeyADPOYIVZGKMSHR-HJWRWDBZSA-N
XLogP2.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.69
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'}

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Frequently Asked Questions

What is the IUPAC name of propyl (Z)-3-trimethylsilyloxybut-2-enoate?
The IUPAC name of propyl (Z)-3-trimethylsilyloxybut-2-enoate (CID 140795481) is propyl (Z)-3-trimethylsilyloxybut-2-enoate.
What is the SMILES notation for propyl (Z)-3-trimethylsilyloxybut-2-enoate?
The canonical SMILES for propyl (Z)-3-trimethylsilyloxybut-2-enoate is CCCOC(=O)/C=C(/C)O[Si](C)(C)C.
What is the InChIKey of propyl (Z)-3-trimethylsilyloxybut-2-enoate?
The InChIKey is ADPOYIVZGKMSHR-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H20O3Si/c1-6-7-12-10(11)8-9(2)13-14(3,4)5/h8H,6-7H2,1-5H3/b9-8-.
What are the key properties of propyl (Z)-3-trimethylsilyloxybut-2-enoate?
propyl (Z)-3-trimethylsilyloxybut-2-enoate has a molecular weight of 216.35 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (Z)-3-trimethylsilyloxybut-2-enoate is sourced from PubChem (CID 140795481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).