[2,3-di(propanoyloxy)-3-prop-2-enylsilylpropyl] propanoate

C15H26O6Si — CID 123991656

IUPAC[2,3-di(propanoyloxy)-3-prop-2-enylsilylpropyl] propanoate
SMILESC=CC[SiH2]C(OC(=O)CC)C(COC(=O)CC)OC(=O)CC
InChIInChI=1S/C15H26O6Si/c1-5-9-22-15(21-14(18)8-4)11(20-13(17)7-3)10-19-12(16)6-2/h5,11,15H,1,6-10,22H2,2-4H3
InChIKeyUVGUINZUPUWHIX-UHFFFAOYSA-N
MW330.45 g/mol
LogP1.31
Rot. Bonds11

About [2,3-di(propanoyloxy)-3-prop-2-enylsilylpropyl] propanoate

[2,3-di(propanoyloxy)-3-prop-2-enylsilylpropyl] propanoate (PubChem CID 123991656) has the molecular formula C15H26O6Si and a molecular weight of 330.45 g/mol. Its IUPAC name is [2,3-di(propanoyloxy)-3-prop-2-enylsilylpropyl] propanoate.

Molecular Properties

Compound Name[2,3-di(propanoyloxy)-3-prop-2-enylsilylpropyl] propanoate
PubChem CID123991656
Molecular FormulaC15H26O6Si
Molecular Weight330.45 g/mol
Exact Mass330.15
IUPAC Name[2,3-di(propanoyloxy)-3-prop-2-enylsilylpropyl] propanoate
SMILESC=CC[SiH2]C(OC(=O)CC)C(COC(=O)CC)OC(=O)CC
InChIInChI=1S/C15H26O6Si/c1-5-9-22-15(21-14(18)8-4)11(20-13(17)7-3)10-19-12(16)6-2/h5,11,15H,1,6-10,22H2,2-4H3
InChIKeyUVGUINZUPUWHIX-UHFFFAOYSA-N
XLogP1.31
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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 [2,3-di(propanoyloxy)-3-prop-2-enylsilylpropyl] propanoate?
The IUPAC name of [2,3-di(propanoyloxy)-3-prop-2-enylsilylpropyl] propanoate (CID 123991656) is [2,3-di(propanoyloxy)-3-prop-2-enylsilylpropyl] propanoate.
What is the SMILES notation for [2,3-di(propanoyloxy)-3-prop-2-enylsilylpropyl] propanoate?
The canonical SMILES for [2,3-di(propanoyloxy)-3-prop-2-enylsilylpropyl] propanoate is C=CC[SiH2]C(OC(=O)CC)C(COC(=O)CC)OC(=O)CC.
What is the InChIKey of [2,3-di(propanoyloxy)-3-prop-2-enylsilylpropyl] propanoate?
The InChIKey is UVGUINZUPUWHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O6Si/c1-5-9-22-15(21-14(18)8-4)11(20-13(17)7-3)10-19-12(16)6-2/h5,11,15H,1,6-10,22H2,2-4H3.
What are the key properties of [2,3-di(propanoyloxy)-3-prop-2-enylsilylpropyl] propanoate?
[2,3-di(propanoyloxy)-3-prop-2-enylsilylpropyl] propanoate has a molecular weight of 330.45 g/mol, XLogP of 1.31, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-di(propanoyloxy)-3-prop-2-enylsilylpropyl] propanoate is sourced from PubChem (CID 123991656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).