methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylhex-5-ynoate

C16H28O3Si — CID 50915307

IUPACmethyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylhex-5-ynoate
SMILESC#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CC=C)C(=O)OC
InChIInChI=1S/C16H28O3Si/c1-9-11-13(15(17)18-6)14(12-10-2)19-20(7,8)16(3,4)5/h2,9,13-14H,1,11-12H2,3-8H3/t13-,14-/m1/s1
InChIKeySXBJSXZWSDLWPW-ZIAGYGMSSA-N
MW296.48 g/mol
LogP3.77
Rot. Bonds7

About methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylhex-5-ynoate

methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylhex-5-ynoate (PubChem CID 50915307) has the molecular formula C16H28O3Si and a molecular weight of 296.48 g/mol. Its IUPAC name is methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylhex-5-ynoate.

Molecular Properties

Compound Namemethyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylhex-5-ynoate
PubChem CID50915307
Molecular FormulaC16H28O3Si
Molecular Weight296.48 g/mol
Exact Mass296.18
IUPAC Namemethyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylhex-5-ynoate
SMILESC#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CC=C)C(=O)OC
InChIInChI=1S/C16H28O3Si/c1-9-11-13(15(17)18-6)14(12-10-2)19-20(7,8)16(3,4)5/h2,9,13-14H,1,11-12H2,3-8H3/t13-,14-/m1/s1
InChIKeySXBJSXZWSDLWPW-ZIAGYGMSSA-N
XLogP3.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylhex-5-ynoate?
The IUPAC name of methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylhex-5-ynoate (CID 50915307) is methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylhex-5-ynoate.
What is the SMILES notation for methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylhex-5-ynoate?
The canonical SMILES for methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylhex-5-ynoate is C#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CC=C)C(=O)OC.
What is the InChIKey of methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylhex-5-ynoate?
The InChIKey is SXBJSXZWSDLWPW-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H28O3Si/c1-9-11-13(15(17)18-6)14(12-10-2)19-20(7,8)16(3,4)5/h2,9,13-14H,1,11-12H2,3-8H3/t13-,14-/m1/s1.
What are the key properties of methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylhex-5-ynoate?
methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylhex-5-ynoate has a molecular weight of 296.48 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylhex-5-ynoate is sourced from PubChem (CID 50915307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).