3-tri(propan-2-yloxy)silylpropyl but-2-enoate

C16H32O5Si — CID 57153051

IUPAC3-tri(propan-2-yloxy)silylpropyl but-2-enoate
SMILESCC=CC(=O)OCCC[Si](OC(C)C)(OC(C)C)OC(C)C
InChIInChI=1S/C16H32O5Si/c1-8-10-16(17)18-11-9-12-22(19-13(2)3,20-14(4)5)21-15(6)7/h8,10,13-15H,9,11-12H2,1-7H3
InChIKeySTTZOHAXNPPUAJ-UHFFFAOYSA-N
MW332.51 g/mol
LogP3.71
Rot. Bonds11

About 3-tri(propan-2-yloxy)silylpropyl but-2-enoate

3-tri(propan-2-yloxy)silylpropyl but-2-enoate (PubChem CID 57153051) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is 3-tri(propan-2-yloxy)silylpropyl but-2-enoate.

Molecular Properties

Compound Name3-tri(propan-2-yloxy)silylpropyl but-2-enoate
PubChem CID57153051
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Name3-tri(propan-2-yloxy)silylpropyl but-2-enoate
SMILESCC=CC(=O)OCCC[Si](OC(C)C)(OC(C)C)OC(C)C
InChIInChI=1S/C16H32O5Si/c1-8-10-16(17)18-11-9-12-22(19-13(2)3,20-14(4)5)21-15(6)7/h8,10,13-15H,9,11-12H2,1-7H3
InChIKeySTTZOHAXNPPUAJ-UHFFFAOYSA-N
XLogP3.71
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 3-tri(propan-2-yloxy)silylpropyl but-2-enoate?
The IUPAC name of 3-tri(propan-2-yloxy)silylpropyl but-2-enoate (CID 57153051) is 3-tri(propan-2-yloxy)silylpropyl but-2-enoate.
What is the SMILES notation for 3-tri(propan-2-yloxy)silylpropyl but-2-enoate?
The canonical SMILES for 3-tri(propan-2-yloxy)silylpropyl but-2-enoate is CC=CC(=O)OCCC[Si](OC(C)C)(OC(C)C)OC(C)C.
What is the InChIKey of 3-tri(propan-2-yloxy)silylpropyl but-2-enoate?
The InChIKey is STTZOHAXNPPUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-8-10-16(17)18-11-9-12-22(19-13(2)3,20-14(4)5)21-15(6)7/h8,10,13-15H,9,11-12H2,1-7H3.
What are the key properties of 3-tri(propan-2-yloxy)silylpropyl but-2-enoate?
3-tri(propan-2-yloxy)silylpropyl but-2-enoate has a molecular weight of 332.51 g/mol, XLogP of 3.71, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tri(propan-2-yloxy)silylpropyl but-2-enoate is sourced from PubChem (CID 57153051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).