tri(propan-2-yl)silyl 2-prop-2-enoyloxypropanoate

C15H28O4Si — CID 87706192

IUPACtri(propan-2-yl)silyl 2-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OC(C)C(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H28O4Si/c1-9-14(16)18-13(8)15(17)19-20(10(2)3,11(4)5)12(6)7/h9-13H,1H2,2-8H3
InChIKeyZDQOJSOYWDJCNM-UHFFFAOYSA-N
MW300.47 g/mol
LogP3.82
Rot. Bonds7

About tri(propan-2-yl)silyl 2-prop-2-enoyloxypropanoate

tri(propan-2-yl)silyl 2-prop-2-enoyloxypropanoate (PubChem CID 87706192) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is tri(propan-2-yl)silyl 2-prop-2-enoyloxypropanoate.

Molecular Properties

Compound Nametri(propan-2-yl)silyl 2-prop-2-enoyloxypropanoate
PubChem CID87706192
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Nametri(propan-2-yl)silyl 2-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OC(C)C(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H28O4Si/c1-9-14(16)18-13(8)15(17)19-20(10(2)3,11(4)5)12(6)7/h9-13H,1H2,2-8H3
InChIKeyZDQOJSOYWDJCNM-UHFFFAOYSA-N
XLogP3.82
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 tri(propan-2-yl)silyl 2-prop-2-enoyloxypropanoate?
The IUPAC name of tri(propan-2-yl)silyl 2-prop-2-enoyloxypropanoate (CID 87706192) is tri(propan-2-yl)silyl 2-prop-2-enoyloxypropanoate.
What is the SMILES notation for tri(propan-2-yl)silyl 2-prop-2-enoyloxypropanoate?
The canonical SMILES for tri(propan-2-yl)silyl 2-prop-2-enoyloxypropanoate is C=CC(=O)OC(C)C(=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)silyl 2-prop-2-enoyloxypropanoate?
The InChIKey is ZDQOJSOYWDJCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-9-14(16)18-13(8)15(17)19-20(10(2)3,11(4)5)12(6)7/h9-13H,1H2,2-8H3.
What are the key properties of tri(propan-2-yl)silyl 2-prop-2-enoyloxypropanoate?
tri(propan-2-yl)silyl 2-prop-2-enoyloxypropanoate has a molecular weight of 300.47 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)silyl 2-prop-2-enoyloxypropanoate is sourced from PubChem (CID 87706192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).