4-tri(propan-2-yloxy)silylbutyl prop-2-enoate

C16H32O5Si — CID 141323279

IUPAC4-tri(propan-2-yloxy)silylbutyl prop-2-enoate
SMILESC=CC(=O)OCCCC[Si](OC(C)C)(OC(C)C)OC(C)C
InChIInChI=1S/C16H32O5Si/c1-8-16(17)18-11-9-10-12-22(19-13(2)3,20-14(4)5)21-15(6)7/h8,13-15H,1,9-12H2,2-7H3
InChIKeyUMCKURCWMOAEBD-UHFFFAOYSA-N
MW332.51 g/mol
LogP3.71
Rot. Bonds12

About 4-tri(propan-2-yloxy)silylbutyl prop-2-enoate

4-tri(propan-2-yloxy)silylbutyl prop-2-enoate (PubChem CID 141323279) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is 4-tri(propan-2-yloxy)silylbutyl prop-2-enoate.

Molecular Properties

Compound Name4-tri(propan-2-yloxy)silylbutyl prop-2-enoate
PubChem CID141323279
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Name4-tri(propan-2-yloxy)silylbutyl prop-2-enoate
SMILESC=CC(=O)OCCCC[Si](OC(C)C)(OC(C)C)OC(C)C
InChIInChI=1S/C16H32O5Si/c1-8-16(17)18-11-9-10-12-22(19-13(2)3,20-14(4)5)21-15(6)7/h8,13-15H,1,9-12H2,2-7H3
InChIKeyUMCKURCWMOAEBD-UHFFFAOYSA-N
XLogP3.71
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
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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Related Compounds

9-tri(propan-2-yloxy)silylnonyl but-2-enoate
CID 174208897
11-(ethoxy-methyl-propan-2-yloxysilyl)undecyl prop-2-enoate
CID 141479415
4-[dimethyl(2-methylpropyl)silyl]butyl prop-2-enoate
CID 150833638
3-[tris(2-methylpropoxy)silyl]propyl prop-2-enoate
CID 139908438
3-trimethoxysilylpropyl prop-2-enoate;hydrate
CID 141437630
3-(ethoxy-methyl-propan-2-yloxysilyl)propyl prop-2-enoate
CID 140990688
2-tri(butan-2-yloxy)silylethyl prop-2-enoate
CID 142675129
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
4-trichlorosilylbutyl prop-2-enoate
CID 54422038
4-[1-(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
CID 164930004
9-[ethoxy(dimethoxy)silyl]nonyl prop-2-enoate
CID 170945913

Frequently Asked Questions

What is the IUPAC name of 4-tri(propan-2-yloxy)silylbutyl prop-2-enoate?
The IUPAC name of 4-tri(propan-2-yloxy)silylbutyl prop-2-enoate (CID 141323279) is 4-tri(propan-2-yloxy)silylbutyl prop-2-enoate.
What is the SMILES notation for 4-tri(propan-2-yloxy)silylbutyl prop-2-enoate?
The canonical SMILES for 4-tri(propan-2-yloxy)silylbutyl prop-2-enoate is C=CC(=O)OCCCC[Si](OC(C)C)(OC(C)C)OC(C)C.
What is the InChIKey of 4-tri(propan-2-yloxy)silylbutyl prop-2-enoate?
The InChIKey is UMCKURCWMOAEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-8-16(17)18-11-9-10-12-22(19-13(2)3,20-14(4)5)21-15(6)7/h8,13-15H,1,9-12H2,2-7H3.
What are the key properties of 4-tri(propan-2-yloxy)silylbutyl prop-2-enoate?
4-tri(propan-2-yloxy)silylbutyl prop-2-enoate has a molecular weight of 332.51 g/mol, XLogP of 3.71, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tri(propan-2-yloxy)silylbutyl prop-2-enoate is sourced from PubChem (CID 141323279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).