2-[3-[dimethyl(pentoxy)silyl]propoxy]ethyl 2-methylprop-2-enoate

C16H32O4Si — CID 139816464

IUPAC2-[3-[dimethyl(pentoxy)silyl]propoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCC[Si](C)(C)OCCCCC
InChIInChI=1S/C16H32O4Si/c1-6-7-8-11-20-21(4,5)14-9-10-18-12-13-19-16(17)15(2)3/h2,6-14H2,1,3-5H3
InChIKeyQZOLNFANRAOUKR-UHFFFAOYSA-N
MW316.51 g/mol
LogP3.92
Rot. Bonds13

About 2-[3-[dimethyl(pentoxy)silyl]propoxy]ethyl 2-methylprop-2-enoate

2-[3-[dimethyl(pentoxy)silyl]propoxy]ethyl 2-methylprop-2-enoate (PubChem CID 139816464) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is 2-[3-[dimethyl(pentoxy)silyl]propoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[3-[dimethyl(pentoxy)silyl]propoxy]ethyl 2-methylprop-2-enoate
PubChem CID139816464
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Name2-[3-[dimethyl(pentoxy)silyl]propoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCC[Si](C)(C)OCCCCC
InChIInChI=1S/C16H32O4Si/c1-6-7-8-11-20-21(4,5)14-9-10-18-12-13-19-16(17)15(2)3/h2,6-14H2,1,3-5H3
InChIKeyQZOLNFANRAOUKR-UHFFFAOYSA-N
XLogP3.92
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[3-[dimethyl(propoxy)silyl]propoxy]propyl 2-methylprop-2-enoate
CID 139816501
2-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 102117026
2-[3-[[[[[[[[[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 2-methylprop-2-enoate
CID 59620846
2-(3-tributoxysilylpropoxy)ethyl 2-methylprop-2-enoate
CID 139816449
2-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 2-methylprop-2-enoate;methane
CID 159570466
2-[2-(3-trihexylsilylpropoxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 123411078
2-[2-(3-tributylsilylpropoxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 140661842
3-[2-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxyethoxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 156628189
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 22247396
5-pentoxypentyl 2-methylprop-2-enoate
CID 139797922
10-pentoxydecyl 2-methylprop-2-enoate
CID 139797940
12-octoxydodecyl 2-methylprop-2-enoate
CID 139797904

Frequently Asked Questions

What is the IUPAC name of 2-[3-[dimethyl(pentoxy)silyl]propoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[3-[dimethyl(pentoxy)silyl]propoxy]ethyl 2-methylprop-2-enoate (CID 139816464) is 2-[3-[dimethyl(pentoxy)silyl]propoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[3-[dimethyl(pentoxy)silyl]propoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[3-[dimethyl(pentoxy)silyl]propoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCC[Si](C)(C)OCCCCC.
What is the InChIKey of 2-[3-[dimethyl(pentoxy)silyl]propoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is QZOLNFANRAOUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-6-7-8-11-20-21(4,5)14-9-10-18-12-13-19-16(17)15(2)3/h2,6-14H2,1,3-5H3.
What are the key properties of 2-[3-[dimethyl(pentoxy)silyl]propoxy]ethyl 2-methylprop-2-enoate?
2-[3-[dimethyl(pentoxy)silyl]propoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 316.51 g/mol, XLogP of 3.92, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[dimethyl(pentoxy)silyl]propoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 139816464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).