methyl (E)-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate

C15H28O4Si — CID 11324058

IUPACmethyl (E)-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
SMILESCOC(=O)/C=C/[C@@H]1OCCC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O4Si/c1-15(2,3)20(5,6)19-13-8-7-11-18-12(13)9-10-14(16)17-4/h9-10,12-13H,7-8,11H2,1-6H3/b10-9+/t12-,13+/m0/s1
InChIKeyDCJJESZUJZLSDK-CCJARXIYSA-N
MW300.47 g/mol
LogP3.29
Rot. Bonds4

About methyl (E)-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate

methyl (E)-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate (PubChem CID 11324058) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is methyl (E)-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
PubChem CID11324058
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Namemethyl (E)-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
SMILESCOC(=O)/C=C/[C@@H]1OCCC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O4Si/c1-15(2,3)20(5,6)19-13-8-7-11-18-12(13)9-10-14(16)17-4/h9-10,12-13H,7-8,11H2,1-6H3/b10-9+/t12-,13+/m0/s1
InChIKeyDCJJESZUJZLSDK-CCJARXIYSA-N
XLogP3.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate (CID 11324058) is methyl (E)-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate is COC(=O)/C=C/[C@@H]1OCCC[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E)-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate?
The InChIKey is DCJJESZUJZLSDK-CCJARXIYSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-15(2,3)20(5,6)19-13-8-7-11-18-12(13)9-10-14(16)17-4/h9-10,12-13H,7-8,11H2,1-6H3/b10-9+/t12-,13+/m0/s1.
What are the key properties of methyl (E)-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate?
methyl (E)-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate has a molecular weight of 300.47 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate is sourced from PubChem (CID 11324058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).