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

C14H28O3Si — CID 152603215

IUPAC3-[butoxy(diethyl)silyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](CC)(CC)OCCCC
InChIInChI=1S/C14H28O3Si/c1-5-9-12-17-18(7-3,8-4)13-10-11-16-14(15)6-2/h6H,2,5,7-13H2,1,3-4H3
InChIKeyYXYWQPSDQBIBGP-UHFFFAOYSA-N
MW272.46 g/mol
LogP3.91
Rot. Bonds11

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

3-[butoxy(diethyl)silyl]propyl prop-2-enoate (PubChem CID 152603215) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is 3-[butoxy(diethyl)silyl]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[butoxy(diethyl)silyl]propyl prop-2-enoate
PubChem CID152603215
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name3-[butoxy(diethyl)silyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](CC)(CC)OCCCC
InChIInChI=1S/C14H28O3Si/c1-5-9-12-17-18(7-3,8-4)13-10-11-16-14(15)6-2/h6H,2,5,7-13H2,1,3-4H3
InChIKeyYXYWQPSDQBIBGP-UHFFFAOYSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-[butoxy(diethyl)silyl]ethyl prop-2-enoate
CID 151526512
3-[butoxy(dimethyl)silyl]propyl prop-2-enoate
CID 142550479
3-[dibutoxy(methyl)silyl]propyl prop-2-enoate
CID 21432061
3-[diethyl(methoxy)silyl]propyl prop-2-enoate
CID 18331018
3-[diethyl(silyloxy)silyl]propyl prop-2-enoate
CID 173150485
4-[dibutoxy(4-prop-2-enoyloxybutoxy)silyl]oxybutyl prop-2-enoate
CID 139621276
3-tripentoxysilylpropyl prop-2-enoate
CID 151204895
4-[dibutyl(ethoxy)silyl]butyl prop-2-enoate
CID 150064370
4-[butoxy(dimethyl)silyl]butyl prop-2-enoate
CID 151407339
2-triethylsilyloxyethyl prop-2-enoate
CID 54487061
3-[dioctadecyl(trimethylsilyloxy)silyl]propyl prop-2-enoate
CID 21305389
2-[ethoxy(diethyl)silyl]ethyl prop-2-enoate
CID 140668278

Frequently Asked Questions

What is the IUPAC name of 3-[butoxy(diethyl)silyl]propyl prop-2-enoate?
The IUPAC name of 3-[butoxy(diethyl)silyl]propyl prop-2-enoate (CID 152603215) is 3-[butoxy(diethyl)silyl]propyl prop-2-enoate.
What is the SMILES notation for 3-[butoxy(diethyl)silyl]propyl prop-2-enoate?
The canonical SMILES for 3-[butoxy(diethyl)silyl]propyl prop-2-enoate is C=CC(=O)OCCC[Si](CC)(CC)OCCCC.
What is the InChIKey of 3-[butoxy(diethyl)silyl]propyl prop-2-enoate?
The InChIKey is YXYWQPSDQBIBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-5-9-12-17-18(7-3,8-4)13-10-11-16-14(15)6-2/h6H,2,5,7-13H2,1,3-4H3.
What are the key properties of 3-[butoxy(diethyl)silyl]propyl prop-2-enoate?
3-[butoxy(diethyl)silyl]propyl prop-2-enoate has a molecular weight of 272.46 g/mol, XLogP of 3.91, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butoxy(diethyl)silyl]propyl prop-2-enoate is sourced from PubChem (CID 152603215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).