2-(4-trichlorosilylbutoxy)ethyl prop-2-enoate

C9H15Cl3O3Si — CID 178066722

IUPAC2-(4-trichlorosilylbutoxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C9H15Cl3O3Si/c1-2-9(13)15-7-6-14-5-3-4-8-16(10,11)12/h2H,1,3-8H2
InChIKeyBWQVDAIZIHNQDC-UHFFFAOYSA-N
MW305.66 g/mol
LogP3.17
Rot. Bonds9

About 2-(4-trichlorosilylbutoxy)ethyl prop-2-enoate

2-(4-trichlorosilylbutoxy)ethyl prop-2-enoate (PubChem CID 178066722) has the molecular formula C9H15Cl3O3Si and a molecular weight of 305.66 g/mol. Its IUPAC name is 2-(4-trichlorosilylbutoxy)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(4-trichlorosilylbutoxy)ethyl prop-2-enoate
PubChem CID178066722
Molecular FormulaC9H15Cl3O3Si
Molecular Weight305.66 g/mol
Exact Mass303.99
IUPAC Name2-(4-trichlorosilylbutoxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C9H15Cl3O3Si/c1-2-9(13)15-7-6-14-5-3-4-8-16(10,11)12/h2H,1,3-8H2
InChIKeyBWQVDAIZIHNQDC-UHFFFAOYSA-N
XLogP3.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.66
LogP ≤ 53.17
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

4-trichlorosilylbutyl prop-2-enoate
CID 54422038
2-[2-[2-[6-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 101134249
3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate
CID 151846925
2-(3-hydroxypropoxy)ethyl prop-2-enoate
CID 59345604
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 11083788
2-docosoxyethyl prop-2-enoate
CID 87118947
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl prop-2-enoate
CID 135130326
carbonochloridic acid;2-(5-hydroxypentoxy)ethyl prop-2-enoate
CID 161184072
2-[2-[2-[2-[2-[2-[2-[2-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 59511003
2-(6-oxohexoxy)ethyl prop-2-enoate
CID 177296509
5-[dichloro(methyl)silyl]pentyl prop-2-enoate
CID 171535330
2-[6-(2-prop-2-enoyloxyethoxy)hexoxy]ethyl propanoate
CID 153320146

Frequently Asked Questions

What is the IUPAC name of 2-(4-trichlorosilylbutoxy)ethyl prop-2-enoate?
The IUPAC name of 2-(4-trichlorosilylbutoxy)ethyl prop-2-enoate (CID 178066722) is 2-(4-trichlorosilylbutoxy)ethyl prop-2-enoate.
What is the SMILES notation for 2-(4-trichlorosilylbutoxy)ethyl prop-2-enoate?
The canonical SMILES for 2-(4-trichlorosilylbutoxy)ethyl prop-2-enoate is C=CC(=O)OCCOCCCC[Si](Cl)(Cl)Cl.
What is the InChIKey of 2-(4-trichlorosilylbutoxy)ethyl prop-2-enoate?
The InChIKey is BWQVDAIZIHNQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl3O3Si/c1-2-9(13)15-7-6-14-5-3-4-8-16(10,11)12/h2H,1,3-8H2.
What are the key properties of 2-(4-trichlorosilylbutoxy)ethyl prop-2-enoate?
2-(4-trichlorosilylbutoxy)ethyl prop-2-enoate has a molecular weight of 305.66 g/mol, XLogP of 3.17, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-trichlorosilylbutoxy)ethyl prop-2-enoate is sourced from PubChem (CID 178066722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).