methyl (E)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-2-enoate

C17H32O4Si — CID 101383531

IUPACmethyl (E)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-2-enoate
SMILESCOC(=O)/C=C/CC[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O4Si/c1-17(2,3)22(5,6)21-15-11-9-13-20-14(15)10-7-8-12-16(18)19-4/h8,12,14-15H,7,9-11,13H2,1-6H3/b12-8+/t14-,15+/m1/s1
InChIKeyQYOAAAMGDWAFJL-QQAGXBGCSA-N
MW328.53 g/mol
LogP4.07
Rot. Bonds6

About methyl (E)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-2-enoate

methyl (E)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-2-enoate (PubChem CID 101383531) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is methyl (E)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-2-enoate.

Molecular Properties

Compound Namemethyl (E)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-2-enoate
PubChem CID101383531
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Namemethyl (E)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-2-enoate
SMILESCOC(=O)/C=C/CC[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O4Si/c1-17(2,3)22(5,6)21-15-11-9-13-20-14(15)10-7-8-12-16(18)19-4/h8,12,14-15H,7,9-11,13H2,1-6H3/b12-8+/t14-,15+/m1/s1
InChIKeyQYOAAAMGDWAFJL-QQAGXBGCSA-N
XLogP4.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 54.07
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)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-2-enoate?
The IUPAC name of methyl (E)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-2-enoate (CID 101383531) is methyl (E)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-2-enoate.
What is the SMILES notation for methyl (E)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-2-enoate?
The canonical SMILES for methyl (E)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-2-enoate is COC(=O)/C=C/CC[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-2-enoate?
The InChIKey is QYOAAAMGDWAFJL-QQAGXBGCSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-17(2,3)22(5,6)21-15-11-9-13-20-14(15)10-7-8-12-16(18)19-4/h8,12,14-15H,7,9-11,13H2,1-6H3/b12-8+/t14-,15+/m1/s1.
What are the key properties of methyl (E)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-2-enoate?
methyl (E)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-2-enoate has a molecular weight of 328.53 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-2-enoate is sourced from PubChem (CID 101383531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).