ethyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybutanoate

C15H30O4Si — CID 10924671

IUPACethyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybutanoate
SMILESC=CCO[C@@H](CO[Si](C)(C)C(C)(C)C)CC(=O)OCC
InChIInChI=1S/C15H30O4Si/c1-8-10-18-13(11-14(16)17-9-2)12-19-20(6,7)15(3,4)5/h8,13H,1,9-12H2,2-7H3/t13-/m1/s1
InChIKeyBADSSLIKHFGGSJ-CYBMUJFWSA-N
MW302.49 g/mol
LogP3.53
Rot. Bonds9

About ethyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybutanoate

ethyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybutanoate (PubChem CID 10924671) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is ethyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybutanoate.

Molecular Properties

Compound Nameethyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybutanoate
PubChem CID10924671
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Nameethyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybutanoate
SMILESC=CCO[C@@H](CO[Si](C)(C)C(C)(C)C)CC(=O)OCC
InChIInChI=1S/C15H30O4Si/c1-8-10-18-13(11-14(16)17-9-2)12-19-20(6,7)15(3,4)5/h8,13H,1,9-12H2,2-7H3/t13-/m1/s1
InChIKeyBADSSLIKHFGGSJ-CYBMUJFWSA-N
XLogP3.53
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.53
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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Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybutanoate?
The IUPAC name of ethyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybutanoate (CID 10924671) is ethyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybutanoate.
What is the SMILES notation for ethyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybutanoate?
The canonical SMILES for ethyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybutanoate is C=CCO[C@@H](CO[Si](C)(C)C(C)(C)C)CC(=O)OCC.
What is the InChIKey of ethyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybutanoate?
The InChIKey is BADSSLIKHFGGSJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-8-10-18-13(11-14(16)17-9-2)12-19-20(6,7)15(3,4)5/h8,13H,1,9-12H2,2-7H3/t13-/m1/s1.
What are the key properties of ethyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybutanoate?
ethyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybutanoate has a molecular weight of 302.49 g/mol, XLogP of 3.53, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybutanoate is sourced from PubChem (CID 10924671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).