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

C14H26O2Si — CID 167321922

IUPAC3-[diethyl(prop-2-enyl)silyl]propyl 2-methylprop-2-enoate
SMILESC=CC[Si](CC)(CC)CCCOC(=O)C(=C)C
InChIInChI=1S/C14H26O2Si/c1-6-11-17(7-2,8-3)12-9-10-16-14(15)13(4)5/h6H,1,4,7-12H2,2-3,5H3
InChIKeyPMXPKJLTAYDNIT-UHFFFAOYSA-N
MW254.45 g/mol
LogP4.17
Rot. Bonds9

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

3-[diethyl(prop-2-enyl)silyl]propyl 2-methylprop-2-enoate (PubChem CID 167321922) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is 3-[diethyl(prop-2-enyl)silyl]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[diethyl(prop-2-enyl)silyl]propyl 2-methylprop-2-enoate
PubChem CID167321922
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name3-[diethyl(prop-2-enyl)silyl]propyl 2-methylprop-2-enoate
SMILESC=CC[Si](CC)(CC)CCCOC(=O)C(=C)C
InChIInChI=1S/C14H26O2Si/c1-6-11-17(7-2,8-3)12-9-10-16-14(15)13(4)5/h6H,1,4,7-12H2,2-3,5H3
InChIKeyPMXPKJLTAYDNIT-UHFFFAOYSA-N
XLogP4.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 54.17
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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Related Compounds

3-[diethyl(2-methylprop-2-enyl)silyl]propyl 2-methylprop-2-enoate
CID 167321908
3-[hydroxy(dimethyl)silyl]propyl 2-methylprop-2-enoate
CID 11009006
2-[hydroxy(dimethyl)silyl]ethyl 2-methylprop-2-enoate;3-[hydroxy(dimethyl)silyl]propyl 2-methylprop-2-enoate
CID 175909002
3-[bis[[ethenyl(dimethyl)silyl]oxy]-hydroxysilyl]propyl 2-methylprop-2-enoate
CID 22325845
3-[dimethyl(propyl)silyl]propyl 2-methylprop-2-enoate
CID 139977940
3-(hydroxy-methoxy-methylsilyl)propyl 2-methylprop-2-enoate
CID 140965642
3-[2-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxyethoxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 156628189
3-[diacetyloxy(ethyl)silyl]propyl 2-methylprop-2-enoate
CID 139835403
3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 22094222
chloro(dimethyl)silane;3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate
CID 159014537
CID 19429806
CID 19429806
2-[2-(3-tributylsilylpropoxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 140661842

Frequently Asked Questions

What is the IUPAC name of 3-[diethyl(prop-2-enyl)silyl]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[diethyl(prop-2-enyl)silyl]propyl 2-methylprop-2-enoate (CID 167321922) is 3-[diethyl(prop-2-enyl)silyl]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[diethyl(prop-2-enyl)silyl]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[diethyl(prop-2-enyl)silyl]propyl 2-methylprop-2-enoate is C=CC[Si](CC)(CC)CCCOC(=O)C(=C)C.
What is the InChIKey of 3-[diethyl(prop-2-enyl)silyl]propyl 2-methylprop-2-enoate?
The InChIKey is PMXPKJLTAYDNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-6-11-17(7-2,8-3)12-9-10-16-14(15)13(4)5/h6H,1,4,7-12H2,2-3,5H3.
What are the key properties of 3-[diethyl(prop-2-enyl)silyl]propyl 2-methylprop-2-enoate?
3-[diethyl(prop-2-enyl)silyl]propyl 2-methylprop-2-enoate has a molecular weight of 254.45 g/mol, XLogP of 4.17, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethyl(prop-2-enyl)silyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 167321922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).