methyl (Z)-2-acetamido-3-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate

C15H29NO4Si — CID 10686840

IUPACmethyl (Z)-2-acetamido-3-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
SMILESCCC/C(O[Si](C)(C)C(C)(C)C)=C(/NC(C)=O)C(=O)OC
InChIInChI=1S/C15H29NO4Si/c1-9-10-12(20-21(7,8)15(3,4)5)13(14(18)19-6)16-11(2)17/h9-10H2,1-8H3,(H,16,17)/b13-12-
InChIKeyCEAONJWHLARYOS-SEYXRHQNSA-N
MW315.49 g/mol
LogP3.33
Rot. Bonds6

About methyl (Z)-2-acetamido-3-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate

methyl (Z)-2-acetamido-3-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate (PubChem CID 10686840) has the molecular formula C15H29NO4Si and a molecular weight of 315.49 g/mol. Its IUPAC name is methyl (Z)-2-acetamido-3-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-acetamido-3-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
PubChem CID10686840
Molecular FormulaC15H29NO4Si
Molecular Weight315.49 g/mol
Exact Mass315.19
IUPAC Namemethyl (Z)-2-acetamido-3-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
SMILESCCC/C(O[Si](C)(C)C(C)(C)C)=C(/NC(C)=O)C(=O)OC
InChIInChI=1S/C15H29NO4Si/c1-9-10-12(20-21(7,8)15(3,4)5)13(14(18)19-6)16-11(2)17/h9-10H2,1-8H3,(H,16,17)/b13-12-
InChIKeyCEAONJWHLARYOS-SEYXRHQNSA-N
XLogP3.33
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (Z)-2-acetamido-3-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate with MolForge

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Related Compounds

methyl (E)-2-acetamido-3-(2,2-dimethylpropanoyloxy)hept-2-enoate
CID 10828004
4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate
CID 87697847
ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate
CID 139673733
[tert-butyl(dimethyl)silyl] 2-oxooctanoate
CID 91696537
dimethyl (2E,6Z)-2-[tert-butyl(dimethyl)silyl]oxy-7-methoxyocta-2,6-dienedioate
CID 11993936
[tert-butyl(dimethyl)silyl] heptacosanoate
CID 91752633
[tert-butyl(dimethyl)silyl] tetradecanoate
CID 528599
methyl 2-acetamido-4-methoxy-3-methylsulfonyloxybut-2-enoate
CID 54080242
bis[tert-butyl(dimethyl)silyl] hexanedioate
CID 528567
methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxoheptanoate
CID 10708520
[tert-butyl(dimethyl)silyl] propan-2-yl carbonate
CID 155712738
N-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propan-2-yl]acetamide
CID 91697077

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-acetamido-3-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate?
The IUPAC name of methyl (Z)-2-acetamido-3-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate (CID 10686840) is methyl (Z)-2-acetamido-3-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate.
What is the SMILES notation for methyl (Z)-2-acetamido-3-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate?
The canonical SMILES for methyl (Z)-2-acetamido-3-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate is CCC/C(O[Si](C)(C)C(C)(C)C)=C(/NC(C)=O)C(=O)OC.
What is the InChIKey of methyl (Z)-2-acetamido-3-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate?
The InChIKey is CEAONJWHLARYOS-SEYXRHQNSA-N. The full InChI is InChI=1S/C15H29NO4Si/c1-9-10-12(20-21(7,8)15(3,4)5)13(14(18)19-6)16-11(2)17/h9-10H2,1-8H3,(H,16,17)/b13-12-.
What are the key properties of methyl (Z)-2-acetamido-3-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate?
methyl (Z)-2-acetamido-3-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate has a molecular weight of 315.49 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-acetamido-3-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate is sourced from PubChem (CID 10686840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).