3-[diethyl(2-methylprop-2-enyl)silyl]propyl 2-methylprop-2-enoate

C15H28O2Si — CID 167321908

IUPAC3-[diethyl(2-methylprop-2-enyl)silyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C[Si](CC)(CC)CCCOC(=O)C(=C)C
InChIInChI=1S/C15H28O2Si/c1-7-18(8-2,12-13(3)4)11-9-10-17-15(16)14(5)6/h3,5,7-12H2,1-2,4,6H3
InChIKeyPRSPPDRDLMMVDH-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.56
Rot. Bonds9

About 3-[diethyl(2-methylprop-2-enyl)silyl]propyl 2-methylprop-2-enoate

3-[diethyl(2-methylprop-2-enyl)silyl]propyl 2-methylprop-2-enoate (PubChem CID 167321908) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is 3-[diethyl(2-methylprop-2-enyl)silyl]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[diethyl(2-methylprop-2-enyl)silyl]propyl 2-methylprop-2-enoate
PubChem CID167321908
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name3-[diethyl(2-methylprop-2-enyl)silyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C[Si](CC)(CC)CCCOC(=O)C(=C)C
InChIInChI=1S/C15H28O2Si/c1-7-18(8-2,12-13(3)4)11-9-10-17-15(16)14(5)6/h3,5,7-12H2,1-2,4,6H3
InChIKeyPRSPPDRDLMMVDH-UHFFFAOYSA-N
XLogP4.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.56
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': 'isolated_alkene', '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-[diethyl(2-methylprop-2-enyl)silyl]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[diethyl(2-methylprop-2-enyl)silyl]propyl 2-methylprop-2-enoate (CID 167321908) is 3-[diethyl(2-methylprop-2-enyl)silyl]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[diethyl(2-methylprop-2-enyl)silyl]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[diethyl(2-methylprop-2-enyl)silyl]propyl 2-methylprop-2-enoate is C=C(C)C[Si](CC)(CC)CCCOC(=O)C(=C)C.
What is the InChIKey of 3-[diethyl(2-methylprop-2-enyl)silyl]propyl 2-methylprop-2-enoate?
The InChIKey is PRSPPDRDLMMVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-7-18(8-2,12-13(3)4)11-9-10-17-15(16)14(5)6/h3,5,7-12H2,1-2,4,6H3.
What are the key properties of 3-[diethyl(2-methylprop-2-enyl)silyl]propyl 2-methylprop-2-enoate?
3-[diethyl(2-methylprop-2-enyl)silyl]propyl 2-methylprop-2-enoate has a molecular weight of 268.47 g/mol, XLogP of 4.56, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethyl(2-methylprop-2-enyl)silyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 167321908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).