ethyl (2S)-2-[di(propan-2-yl)-prop-2-enoxysilyl]oxypropanoate

C14H28O4Si — CID 45101788

IUPACethyl (2S)-2-[di(propan-2-yl)-prop-2-enoxysilyl]oxypropanoate
SMILESC=CCO[Si](O[C@@H](C)C(=O)OCC)(C(C)C)C(C)C
InChIInChI=1S/C14H28O4Si/c1-8-10-17-19(11(3)4,12(5)6)18-13(7)14(15)16-9-2/h8,11-13H,1,9-10H2,2-7H3/t13-/m0/s1
InChIKeyULOLWPDSODWMPW-ZDUSSCGKSA-N
MW288.46 g/mol
LogP3.42
Rot. Bonds9

About ethyl (2S)-2-[di(propan-2-yl)-prop-2-enoxysilyl]oxypropanoate

ethyl (2S)-2-[di(propan-2-yl)-prop-2-enoxysilyl]oxypropanoate (PubChem CID 45101788) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is ethyl (2S)-2-[di(propan-2-yl)-prop-2-enoxysilyl]oxypropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[di(propan-2-yl)-prop-2-enoxysilyl]oxypropanoate
PubChem CID45101788
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Nameethyl (2S)-2-[di(propan-2-yl)-prop-2-enoxysilyl]oxypropanoate
SMILESC=CCO[Si](O[C@@H](C)C(=O)OCC)(C(C)C)C(C)C
InChIInChI=1S/C14H28O4Si/c1-8-10-17-19(11(3)4,12(5)6)18-13(7)14(15)16-9-2/h8,11-13H,1,9-10H2,2-7H3/t13-/m0/s1
InChIKeyULOLWPDSODWMPW-ZDUSSCGKSA-N
XLogP3.42
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Allyloxypropionic acid trimethylsilyl ester
CID 54107693
Vinyltris(ethyl lactato)silane
CID 58057325
2-Propenyl 2-(trimethylsilyloxy)propionate
CID 86667393
Prop-2-enyl 2-[dimethoxy(2-trimethylsilylethyl)silyl]oxyprop-2-enoate
CID 87532964
Tri(propan-2-yl)silyl 2-prop-2-enoyloxypropanoate
CID 87706192
2-O-prop-2-enyl 1-O-(2-trimethylsilylethyl) oxalate
CID 88143397
[(E)-but-2-enyl] 2-trimethylsilyloxypropanoate
CID 88549939
Prop-2-enyl 2-trimethylsilyloxyacetate
CID 88550393
Methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate
CID 91207977
[2,3-Di(propanoyloxy)-3-prop-2-enylsilylpropyl] propanoate
CID 123991656
methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate
CID 140509933
But-2-enyl 2-trimethylsilyloxypropanoate
CID 140586481

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[di(propan-2-yl)-prop-2-enoxysilyl]oxypropanoate?
The IUPAC name of ethyl (2S)-2-[di(propan-2-yl)-prop-2-enoxysilyl]oxypropanoate (CID 45101788) is ethyl (2S)-2-[di(propan-2-yl)-prop-2-enoxysilyl]oxypropanoate.
What is the SMILES notation for ethyl (2S)-2-[di(propan-2-yl)-prop-2-enoxysilyl]oxypropanoate?
The canonical SMILES for ethyl (2S)-2-[di(propan-2-yl)-prop-2-enoxysilyl]oxypropanoate is C=CCO[Si](O[C@@H](C)C(=O)OCC)(C(C)C)C(C)C.
What is the InChIKey of ethyl (2S)-2-[di(propan-2-yl)-prop-2-enoxysilyl]oxypropanoate?
The InChIKey is ULOLWPDSODWMPW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-8-10-17-19(11(3)4,12(5)6)18-13(7)14(15)16-9-2/h8,11-13H,1,9-10H2,2-7H3/t13-/m0/s1.
What are the key properties of ethyl (2S)-2-[di(propan-2-yl)-prop-2-enoxysilyl]oxypropanoate?
ethyl (2S)-2-[di(propan-2-yl)-prop-2-enoxysilyl]oxypropanoate has a molecular weight of 288.46 g/mol, XLogP of 3.42, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[di(propan-2-yl)-prop-2-enoxysilyl]oxypropanoate is sourced from PubChem (CID 45101788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).