2-[diethoxy(ethyl)silyl]oxypentan-2-yl prop-2-enoate

C14H28O5Si — CID 154370953

IUPAC2-[diethoxy(ethyl)silyl]oxypentan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)(CCC)O[Si](CC)(OCC)OCC
InChIInChI=1S/C14H28O5Si/c1-7-12-14(6,18-13(15)8-2)19-20(11-5,16-9-3)17-10-4/h8H,2,7,9-12H2,1,3-6H3
InChIKeyPDLRKQZJSDBDJF-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.28
Rot. Bonds11

About 2-[diethoxy(ethyl)silyl]oxypentan-2-yl prop-2-enoate

2-[diethoxy(ethyl)silyl]oxypentan-2-yl prop-2-enoate (PubChem CID 154370953) has the molecular formula C14H28O5Si and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-[diethoxy(ethyl)silyl]oxypentan-2-yl prop-2-enoate.

Molecular Properties

Compound Name2-[diethoxy(ethyl)silyl]oxypentan-2-yl prop-2-enoate
PubChem CID154370953
Molecular FormulaC14H28O5Si
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name2-[diethoxy(ethyl)silyl]oxypentan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)(CCC)O[Si](CC)(OCC)OCC
InChIInChI=1S/C14H28O5Si/c1-7-12-14(6,18-13(15)8-2)19-20(11-5,16-9-3)17-10-4/h8H,2,7,9-12H2,1,3-6H3
InChIKeyPDLRKQZJSDBDJF-UHFFFAOYSA-N
XLogP3.28
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(ethoxy-methoxy-propylsilyl)oxypropan-2-yl prop-2-enoate
CID 175016838
3-methylhexan-3-yl prop-2-enoate
CID 87498844
(3-methyl-2-oxohexan-3-yl) prop-2-enoate
CID 177124679
4-prop-2-enoyloxyoctan-4-yl prop-2-enoate
CID 141007070
3-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]propyl prop-2-enoate
CID 172786041
(8-hydroxy-4-methyloctan-4-yl) prop-2-enoate
CID 174476432
(ethoxy-ethyl-propylsilyl)methyl prop-2-enoate
CID 141190333
(2-hydroxy-3-prop-2-enoyloxyhexan-3-yl) prop-2-enoate
CID 141398047
3-methoxyhexan-3-yl prop-2-enoate
CID 118937172
(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl) prop-2-enoate
CID 139994874
2-[diethoxy(undecyl)silyl]oxyethyl prop-2-enoate
CID 151648316
(2,6-dimethyl-6-prop-2-enoyloxyheptan-2-yl) prop-2-enoate
CID 131723135

Frequently Asked Questions

What is the IUPAC name of 2-[diethoxy(ethyl)silyl]oxypentan-2-yl prop-2-enoate?
The IUPAC name of 2-[diethoxy(ethyl)silyl]oxypentan-2-yl prop-2-enoate (CID 154370953) is 2-[diethoxy(ethyl)silyl]oxypentan-2-yl prop-2-enoate.
What is the SMILES notation for 2-[diethoxy(ethyl)silyl]oxypentan-2-yl prop-2-enoate?
The canonical SMILES for 2-[diethoxy(ethyl)silyl]oxypentan-2-yl prop-2-enoate is C=CC(=O)OC(C)(CCC)O[Si](CC)(OCC)OCC.
What is the InChIKey of 2-[diethoxy(ethyl)silyl]oxypentan-2-yl prop-2-enoate?
The InChIKey is PDLRKQZJSDBDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O5Si/c1-7-12-14(6,18-13(15)8-2)19-20(11-5,16-9-3)17-10-4/h8H,2,7,9-12H2,1,3-6H3.
What are the key properties of 2-[diethoxy(ethyl)silyl]oxypentan-2-yl prop-2-enoate?
2-[diethoxy(ethyl)silyl]oxypentan-2-yl prop-2-enoate has a molecular weight of 304.46 g/mol, XLogP of 3.28, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diethoxy(ethyl)silyl]oxypentan-2-yl prop-2-enoate is sourced from PubChem (CID 154370953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).