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

C16H32O5Si — CID 3018959

IUPAC3-tri(propan-2-yloxy)silylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](OC(C)C)(OC(C)C)OC(C)C
InChIInChI=1S/C16H32O5Si/c1-12(2)16(17)18-10-9-11-22(19-13(3)4,20-14(5)6)21-15(7)8/h13-15H,1,9-11H2,2-8H3
InChIKeyCHPNMYQJQQGAJS-UHFFFAOYSA-N
MW332.51 g/mol
LogP3.71
Rot. Bonds11

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

3-tri(propan-2-yloxy)silylpropyl 2-methylprop-2-enoate (PubChem CID 3018959) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is 3-tri(propan-2-yloxy)silylpropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-tri(propan-2-yloxy)silylpropyl 2-methylprop-2-enoate
PubChem CID3018959
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Name3-tri(propan-2-yloxy)silylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](OC(C)C)(OC(C)C)OC(C)C
InChIInChI=1S/C16H32O5Si/c1-12(2)16(17)18-10-9-11-22(19-13(3)4,20-14(5)6)21-15(7)8/h13-15H,1,9-11H2,2-8H3
InChIKeyCHPNMYQJQQGAJS-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 2-methylprop-2-enoate?
The IUPAC name of 3-tri(propan-2-yloxy)silylpropyl 2-methylprop-2-enoate (CID 3018959) is 3-tri(propan-2-yloxy)silylpropyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-tri(propan-2-yloxy)silylpropyl 2-methylprop-2-enoate?
The canonical SMILES for 3-tri(propan-2-yloxy)silylpropyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si](OC(C)C)(OC(C)C)OC(C)C.
What is the InChIKey of 3-tri(propan-2-yloxy)silylpropyl 2-methylprop-2-enoate?
The InChIKey is CHPNMYQJQQGAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-12(2)16(17)18-10-9-11-22(19-13(3)4,20-14(5)6)21-15(7)8/h13-15H,1,9-11H2,2-8H3.
What are the key properties of 3-tri(propan-2-yloxy)silylpropyl 2-methylprop-2-enoate?
3-tri(propan-2-yloxy)silylpropyl 2-methylprop-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 2-methylprop-2-enoate is sourced from PubChem (CID 3018959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).