3-[diethyl(propan-2-yl)silyl]propyl prop-2-enoate

C13H26O2Si — CID 141179132

IUPAC3-[diethyl(propan-2-yl)silyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](CC)(CC)C(C)C
InChIInChI=1S/C13H26O2Si/c1-6-13(14)15-10-9-11-16(7-2,8-3)12(4)5/h6,12H,1,7-11H2,2-5H3
InChIKeyIGBZDNROSJJNAG-UHFFFAOYSA-N
MW242.43 g/mol
LogP4.00
Rot. Bonds8

About 3-[diethyl(propan-2-yl)silyl]propyl prop-2-enoate

3-[diethyl(propan-2-yl)silyl]propyl prop-2-enoate (PubChem CID 141179132) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is 3-[diethyl(propan-2-yl)silyl]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[diethyl(propan-2-yl)silyl]propyl prop-2-enoate
PubChem CID141179132
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name3-[diethyl(propan-2-yl)silyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](CC)(CC)C(C)C
InChIInChI=1S/C13H26O2Si/c1-6-13(14)15-10-9-11-16(7-2,8-3)12(4)5/h6,12H,1,7-11H2,2-5H3
InChIKeyIGBZDNROSJJNAG-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

3-[diethyl(silyloxy)silyl]propyl prop-2-enoate
CID 173150485
3-[diethyl(methoxy)silyl]propyl prop-2-enoate
CID 18331018
3-[tris(3-prop-2-enoyloxypropyl)silyl]propyl prop-2-enoate
CID 140784915
3-[3-prop-2-enoyloxypropyl(dipropyl)silyl]propyl prop-2-enoate
CID 87228396
3-[tris(2-methylpropoxy)silyl]propyl prop-2-enoate
CID 139908438
3-(ethoxy-methyl-propan-2-yloxysilyl)propyl prop-2-enoate
CID 140990688
3-trimethoxysilylpropyl prop-2-enoate;hydrate
CID 141437630
3-[butoxy(diethyl)silyl]propyl prop-2-enoate
CID 152603215
[(4R)-4-triethylsilyloxypentyl] prop-2-enoate
CID 141157496
4-methylhexyl prop-2-enoate
CID 58980362
3-[dimethoxy(propyl)silyl]propyl prop-2-enoate
CID 21432068
4-tri(propan-2-yloxy)silylbutyl prop-2-enoate
CID 141323279

Frequently Asked Questions

What is the IUPAC name of 3-[diethyl(propan-2-yl)silyl]propyl prop-2-enoate?
The IUPAC name of 3-[diethyl(propan-2-yl)silyl]propyl prop-2-enoate (CID 141179132) is 3-[diethyl(propan-2-yl)silyl]propyl prop-2-enoate.
What is the SMILES notation for 3-[diethyl(propan-2-yl)silyl]propyl prop-2-enoate?
The canonical SMILES for 3-[diethyl(propan-2-yl)silyl]propyl prop-2-enoate is C=CC(=O)OCCC[Si](CC)(CC)C(C)C.
What is the InChIKey of 3-[diethyl(propan-2-yl)silyl]propyl prop-2-enoate?
The InChIKey is IGBZDNROSJJNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-6-13(14)15-10-9-11-16(7-2,8-3)12(4)5/h6,12H,1,7-11H2,2-5H3.
What are the key properties of 3-[diethyl(propan-2-yl)silyl]propyl prop-2-enoate?
3-[diethyl(propan-2-yl)silyl]propyl prop-2-enoate has a molecular weight of 242.43 g/mol, XLogP of 4.00, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethyl(propan-2-yl)silyl]propyl prop-2-enoate is sourced from PubChem (CID 141179132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).