1-tri(propan-2-yloxy)silylpropyl prop-2-enoate

C15H30O5Si — CID 87405020

IUPAC1-tri(propan-2-yloxy)silylpropyl prop-2-enoate
SMILESC=CC(=O)OC(CC)[Si](OC(C)C)(OC(C)C)OC(C)C
InChIInChI=1S/C15H30O5Si/c1-9-14(16)17-15(10-2)21(18-11(3)4,19-12(5)6)20-13(7)8/h9,11-13,15H,1,10H2,2-8H3
InChIKeyPAWXIVPALUXSND-UHFFFAOYSA-N
MW318.49 g/mol
LogP3.25
Rot. Bonds10

About 1-tri(propan-2-yloxy)silylpropyl prop-2-enoate

1-tri(propan-2-yloxy)silylpropyl prop-2-enoate (PubChem CID 87405020) has the molecular formula C15H30O5Si and a molecular weight of 318.49 g/mol. Its IUPAC name is 1-tri(propan-2-yloxy)silylpropyl prop-2-enoate.

Molecular Properties

Compound Name1-tri(propan-2-yloxy)silylpropyl prop-2-enoate
PubChem CID87405020
Molecular FormulaC15H30O5Si
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Name1-tri(propan-2-yloxy)silylpropyl prop-2-enoate
SMILESC=CC(=O)OC(CC)[Si](OC(C)C)(OC(C)C)OC(C)C
InChIInChI=1S/C15H30O5Si/c1-9-14(16)17-15(10-2)21(18-11(3)4,19-12(5)6)20-13(7)8/h9,11-13,15H,1,10H2,2-8H3
InChIKeyPAWXIVPALUXSND-UHFFFAOYSA-N
XLogP3.25
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-tris[[ethenyl(dimethyl)silyl]oxy]silylpropyl prop-2-enoate
CID 87532765
CID 172734708
CID 172734708
[(1S)-1-hydroxypropyl] prop-2-enoate
CID 88739010
1-[[ethoxy(dimethyl)silyl]-bis[methoxy(dimethyl)silyl]silyl]propyl prop-2-enoate
CID 141421352
1-tris(prop-1-en-2-yloxy)silyloxypropyl prop-2-enoate
CID 18477240
1-(dimethylamino)propyl prop-2-enoate;hydrofluoride
CID 173036316
1-[ethoxy-methoxy-[(1-oxo-2,4,5-trioxa-1λ5-phosphabicyclo[1.1.1]pentan-3-yl)oxy]silyl]propyl prop-2-enoate
CID 178069792
1-trimethoxysilyldodecyl prop-2-enoate
CID 175341849
ethoxyethane;1-trimethoxysilylbutyl prop-2-enoate
CID 174844646
(3-methoxy-1-trimethoxysilylpropyl) prop-2-enoate
CID 174944570
2-hydroxysilyloxypentan-3-yl prop-2-enoate
CID 174938175
1-butan-2-ylsulfanylethyl prop-2-enoate
CID 146302842

Frequently Asked Questions

What is the IUPAC name of 1-tri(propan-2-yloxy)silylpropyl prop-2-enoate?
The IUPAC name of 1-tri(propan-2-yloxy)silylpropyl prop-2-enoate (CID 87405020) is 1-tri(propan-2-yloxy)silylpropyl prop-2-enoate.
What is the SMILES notation for 1-tri(propan-2-yloxy)silylpropyl prop-2-enoate?
The canonical SMILES for 1-tri(propan-2-yloxy)silylpropyl prop-2-enoate is C=CC(=O)OC(CC)[Si](OC(C)C)(OC(C)C)OC(C)C.
What is the InChIKey of 1-tri(propan-2-yloxy)silylpropyl prop-2-enoate?
The InChIKey is PAWXIVPALUXSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O5Si/c1-9-14(16)17-15(10-2)21(18-11(3)4,19-12(5)6)20-13(7)8/h9,11-13,15H,1,10H2,2-8H3.
What are the key properties of 1-tri(propan-2-yloxy)silylpropyl prop-2-enoate?
1-tri(propan-2-yloxy)silylpropyl prop-2-enoate has a molecular weight of 318.49 g/mol, XLogP of 3.25, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tri(propan-2-yloxy)silylpropyl prop-2-enoate is sourced from PubChem (CID 87405020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).