methyl (Z,2R)-2-acetamido-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate

C15H29NO4Si — CID 11012516

IUPACmethyl (Z,2R)-2-acetamido-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate
SMILESCOC(=O)[C@@H](C/C=C\CO[Si](C)(C)C(C)(C)C)NC(C)=O
InChIInChI=1S/C15H29NO4Si/c1-12(17)16-13(14(18)19-5)10-8-9-11-20-21(6,7)15(2,3)4/h8-9,13H,10-11H2,1-7H3,(H,16,17)/b9-8-/t13-/m1/s1
InChIKeyLXZYJRGOYXODQZ-LJTDUEICSA-N
MW315.49 g/mol
LogP2.63
Rot. Bonds7

About methyl (Z,2R)-2-acetamido-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate

methyl (Z,2R)-2-acetamido-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate (PubChem CID 11012516) has the molecular formula C15H29NO4Si and a molecular weight of 315.49 g/mol. Its IUPAC name is methyl (Z,2R)-2-acetamido-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate.

Molecular Properties

Compound Namemethyl (Z,2R)-2-acetamido-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate
PubChem CID11012516
Molecular FormulaC15H29NO4Si
Molecular Weight315.49 g/mol
Exact Mass315.19
IUPAC Namemethyl (Z,2R)-2-acetamido-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate
SMILESCOC(=O)[C@@H](C/C=C\CO[Si](C)(C)C(C)(C)C)NC(C)=O
InChIInChI=1S/C15H29NO4Si/c1-12(17)16-13(14(18)19-5)10-8-9-11-20-21(6,7)15(2,3)4/h8-9,13H,10-11H2,1-7H3,(H,16,17)/b9-8-/t13-/m1/s1
InChIKeyLXZYJRGOYXODQZ-LJTDUEICSA-N
XLogP2.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.49
LogP ≤ 52.63
H-Bond Donors ≤ 51
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

dimethyl (E)-2,7-diacetamidooct-4-enedioate
CID 88545044
methyl (E,2S)-2-acetamido-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate
CID 10519447
methyl (E,2R,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylhex-4-enoate
CID 12968503
methyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxycarbonylamino]pent-4-enoate
CID 14765843
methyl (E,2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylhex-4-enoate
CID 101221459
methyl (E,2S)-2-acetamido-6,6-dimethylhept-4-enoate
CID 135054617
tert-butyl (Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(2,2,2-trifluoroacetyl)amino]hex-4-enoate
CID 11991761
tert-butyl (E,2S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(2,2,2-trifluoroacetyl)amino]hept-4-enoate
CID 101376667
[(1S,4S,5R)-5-acetamido-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate
CID 10591307
Methyl N-(t-butyldimethylsilyloxycarbonyl)-2-amino-4-pentenoate
CID 14765842
dimethyl (E,2S,7S)-2,7-diacetamidooct-4-enedioate
CID 54755201
dimethyl (Z)-2,7-diacetamidooct-4-enedioate
CID 54755202

Frequently Asked Questions

What is the IUPAC name of methyl (Z,2R)-2-acetamido-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate?
The IUPAC name of methyl (Z,2R)-2-acetamido-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate (CID 11012516) is methyl (Z,2R)-2-acetamido-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate.
What is the SMILES notation for methyl (Z,2R)-2-acetamido-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate?
The canonical SMILES for methyl (Z,2R)-2-acetamido-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate is COC(=O)[C@@H](C/C=C\CO[Si](C)(C)C(C)(C)C)NC(C)=O.
What is the InChIKey of methyl (Z,2R)-2-acetamido-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate?
The InChIKey is LXZYJRGOYXODQZ-LJTDUEICSA-N. The full InChI is InChI=1S/C15H29NO4Si/c1-12(17)16-13(14(18)19-5)10-8-9-11-20-21(6,7)15(2,3)4/h8-9,13H,10-11H2,1-7H3,(H,16,17)/b9-8-/t13-/m1/s1.
What are the key properties of methyl (Z,2R)-2-acetamido-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate?
methyl (Z,2R)-2-acetamido-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate has a molecular weight of 315.49 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z,2R)-2-acetamido-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate is sourced from PubChem (CID 11012516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).