butyl 2-acetyloxy-4-trimethylsilylbut-3-enoate

C13H24O4Si — CID 71413592

IUPACbutyl 2-acetyloxy-4-trimethylsilylbut-3-enoate
SMILESCCCCOC(=O)C(C=C[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C13H24O4Si/c1-6-7-9-16-13(15)12(17-11(2)14)8-10-18(3,4)5/h8,10,12H,6-7,9H2,1-5H3
InChIKeyWWJUHTYOCBWQBC-UHFFFAOYSA-N
MW272.42 g/mol
LogP2.69
Rot. Bonds7

About butyl 2-acetyloxy-4-trimethylsilylbut-3-enoate

butyl 2-acetyloxy-4-trimethylsilylbut-3-enoate (PubChem CID 71413592) has the molecular formula C13H24O4Si and a molecular weight of 272.42 g/mol. Its IUPAC name is butyl 2-acetyloxy-4-trimethylsilylbut-3-enoate.

Molecular Properties

Compound Namebutyl 2-acetyloxy-4-trimethylsilylbut-3-enoate
PubChem CID71413592
Molecular FormulaC13H24O4Si
Molecular Weight272.42 g/mol
Exact Mass272.14
IUPAC Namebutyl 2-acetyloxy-4-trimethylsilylbut-3-enoate
SMILESCCCCOC(=O)C(C=C[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C13H24O4Si/c1-6-7-9-16-13(15)12(17-11(2)14)8-10-18(3,4)5/h8,10,12H,6-7,9H2,1-5H3
InChIKeyWWJUHTYOCBWQBC-UHFFFAOYSA-N
XLogP2.69
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl 2-acetyloxy-4-trimethylsilylbut-3-enoate?
The IUPAC name of butyl 2-acetyloxy-4-trimethylsilylbut-3-enoate (CID 71413592) is butyl 2-acetyloxy-4-trimethylsilylbut-3-enoate.
What is the SMILES notation for butyl 2-acetyloxy-4-trimethylsilylbut-3-enoate?
The canonical SMILES for butyl 2-acetyloxy-4-trimethylsilylbut-3-enoate is CCCCOC(=O)C(C=C[Si](C)(C)C)OC(C)=O.
What is the InChIKey of butyl 2-acetyloxy-4-trimethylsilylbut-3-enoate?
The InChIKey is WWJUHTYOCBWQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4Si/c1-6-7-9-16-13(15)12(17-11(2)14)8-10-18(3,4)5/h8,10,12H,6-7,9H2,1-5H3.
What are the key properties of butyl 2-acetyloxy-4-trimethylsilylbut-3-enoate?
butyl 2-acetyloxy-4-trimethylsilylbut-3-enoate has a molecular weight of 272.42 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-acetyloxy-4-trimethylsilylbut-3-enoate is sourced from PubChem (CID 71413592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).