[(E)-4-tri(propan-2-yl)silylbut-2-enyl] acetate

C15H30O2Si — CID 54672436

IUPAC[(E)-4-tri(propan-2-yl)silylbut-2-enyl] acetate
SMILESCC(=O)OC/C=C/C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H30O2Si/c1-12(2)18(13(3)4,14(5)6)11-9-8-10-17-15(7)16/h8-9,12-14H,10-11H2,1-7H3/b9-8+
InChIKeyJRRTXTQOKQSHSK-CMDGGOBGSA-N
MW270.49 g/mol
LogP4.78
Rot. Bonds7

About [(E)-4-tri(propan-2-yl)silylbut-2-enyl] acetate

[(E)-4-tri(propan-2-yl)silylbut-2-enyl] acetate (PubChem CID 54672436) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is [(E)-4-tri(propan-2-yl)silylbut-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-4-tri(propan-2-yl)silylbut-2-enyl] acetate
PubChem CID54672436
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name[(E)-4-tri(propan-2-yl)silylbut-2-enyl] acetate
SMILESCC(=O)OC/C=C/C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H30O2Si/c1-12(2)18(13(3)4,14(5)6)11-9-8-10-17-15(7)16/h8-9,12-14H,10-11H2,1-7H3/b9-8+
InChIKeyJRRTXTQOKQSHSK-CMDGGOBGSA-N
XLogP4.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-4-tri(propan-2-yl)silylbut-2-enyl] acetate?
The IUPAC name of [(E)-4-tri(propan-2-yl)silylbut-2-enyl] acetate (CID 54672436) is [(E)-4-tri(propan-2-yl)silylbut-2-enyl] acetate.
What is the SMILES notation for [(E)-4-tri(propan-2-yl)silylbut-2-enyl] acetate?
The canonical SMILES for [(E)-4-tri(propan-2-yl)silylbut-2-enyl] acetate is CC(=O)OC/C=C/C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(E)-4-tri(propan-2-yl)silylbut-2-enyl] acetate?
The InChIKey is JRRTXTQOKQSHSK-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-12(2)18(13(3)4,14(5)6)11-9-8-10-17-15(7)16/h8-9,12-14H,10-11H2,1-7H3/b9-8+.
What are the key properties of [(E)-4-tri(propan-2-yl)silylbut-2-enyl] acetate?
[(E)-4-tri(propan-2-yl)silylbut-2-enyl] acetate has a molecular weight of 270.49 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-tri(propan-2-yl)silylbut-2-enyl] acetate is sourced from PubChem (CID 54672436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).