[(Z)-4-tri(propan-2-yl)silyloxybut-2-enyl] acetate

C15H30O3Si — CID 166436917

IUPAC[(Z)-4-tri(propan-2-yl)silyloxybut-2-enyl] acetate
SMILESCC(=O)OC/C=C\CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H30O3Si/c1-12(2)19(13(3)4,14(5)6)18-11-9-8-10-17-15(7)16/h8-9,12-14H,10-11H2,1-7H3/b9-8-
InChIKeyFEMYADHSQDJJLW-HJWRWDBZSA-N
MW286.49 g/mol
LogP4.30
Rot. Bonds8

About [(Z)-4-tri(propan-2-yl)silyloxybut-2-enyl] acetate

[(Z)-4-tri(propan-2-yl)silyloxybut-2-enyl] acetate (PubChem CID 166436917) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is [(Z)-4-tri(propan-2-yl)silyloxybut-2-enyl] acetate.

Molecular Properties

Compound Name[(Z)-4-tri(propan-2-yl)silyloxybut-2-enyl] acetate
PubChem CID166436917
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name[(Z)-4-tri(propan-2-yl)silyloxybut-2-enyl] acetate
SMILESCC(=O)OC/C=C\CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H30O3Si/c1-12(2)19(13(3)4,14(5)6)18-11-9-8-10-17-15(7)16/h8-9,12-14H,10-11H2,1-7H3/b9-8-
InChIKeyFEMYADHSQDJJLW-HJWRWDBZSA-N
XLogP4.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxybut-2-enyl acetate
CID 54073989
[(Z)-4-ethoxycarbonyloxybut-2-enyl] acetate
CID 11127322
(Z)-6-tri(propan-2-yl)silyloxyhex-4-en-3-ol
CID 139691180
6-acetyloxyhex-4-enoic acid
CID 54335921
[(E)-4-acetyloxybut-2-enyl] 2-bromo-2-methylpropanoate
CID 44514812
[(Z,4S)-4,5-dihydroxypent-2-enyl] acetate
CID 11040986
7-oxooct-2-enyl acetate
CID 71362074
[(2E,8Z)-tetradeca-2,8-dienyl] acetate
CID 177398223
[(Z)-4-amino-4-oxobut-2-enyl] acetate;ethane
CID 169106172
4-tri(propan-2-yl)silyloxybutan-2-one
CID 13398602
[(2E,10E)-trideca-2,10-dienyl] acetate
CID 89409048
[(E)-13-hydroxytridec-2-enyl] acetate
CID 11715833

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-tri(propan-2-yl)silyloxybut-2-enyl] acetate?
The IUPAC name of [(Z)-4-tri(propan-2-yl)silyloxybut-2-enyl] acetate (CID 166436917) is [(Z)-4-tri(propan-2-yl)silyloxybut-2-enyl] acetate.
What is the SMILES notation for [(Z)-4-tri(propan-2-yl)silyloxybut-2-enyl] acetate?
The canonical SMILES for [(Z)-4-tri(propan-2-yl)silyloxybut-2-enyl] acetate is CC(=O)OC/C=C\CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(Z)-4-tri(propan-2-yl)silyloxybut-2-enyl] acetate?
The InChIKey is FEMYADHSQDJJLW-HJWRWDBZSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-12(2)19(13(3)4,14(5)6)18-11-9-8-10-17-15(7)16/h8-9,12-14H,10-11H2,1-7H3/b9-8-.
What are the key properties of [(Z)-4-tri(propan-2-yl)silyloxybut-2-enyl] acetate?
[(Z)-4-tri(propan-2-yl)silyloxybut-2-enyl] acetate has a molecular weight of 286.49 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-tri(propan-2-yl)silyloxybut-2-enyl] acetate is sourced from PubChem (CID 166436917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).