methyl (Z,4R,5R)-5-carbamoyloxy-3-methyl-4-triethylsilyloxyhex-2-enoate

C15H29NO5Si — CID 134723250

IUPACmethyl (Z,4R,5R)-5-carbamoyloxy-3-methyl-4-triethylsilyloxyhex-2-enoate
SMILESCC[Si](CC)(CC)O[C@H](/C(C)=C\C(=O)OC)[C@@H](C)OC(N)=O
InChIInChI=1S/C15H29NO5Si/c1-7-22(8-2,9-3)21-14(12(5)20-15(16)18)11(4)10-13(17)19-6/h10,12,14H,7-9H2,1-6H3,(H2,16,18)/b11-10-/t12-,14-/m1/s1
InChIKeyCBVOENHYXRKIRF-XVGBTMSLSA-N
MW331.49 g/mol
LogP2.98
Rot. Bonds9

About methyl (Z,4R,5R)-5-carbamoyloxy-3-methyl-4-triethylsilyloxyhex-2-enoate

methyl (Z,4R,5R)-5-carbamoyloxy-3-methyl-4-triethylsilyloxyhex-2-enoate (PubChem CID 134723250) has the molecular formula C15H29NO5Si and a molecular weight of 331.49 g/mol. Its IUPAC name is methyl (Z,4R,5R)-5-carbamoyloxy-3-methyl-4-triethylsilyloxyhex-2-enoate.

Molecular Properties

Compound Namemethyl (Z,4R,5R)-5-carbamoyloxy-3-methyl-4-triethylsilyloxyhex-2-enoate
PubChem CID134723250
Molecular FormulaC15H29NO5Si
Molecular Weight331.49 g/mol
Exact Mass331.18
IUPAC Namemethyl (Z,4R,5R)-5-carbamoyloxy-3-methyl-4-triethylsilyloxyhex-2-enoate
SMILESCC[Si](CC)(CC)O[C@H](/C(C)=C\C(=O)OC)[C@@H](C)OC(N)=O
InChIInChI=1S/C15H29NO5Si/c1-7-22(8-2,9-3)21-14(12(5)20-15(16)18)11(4)10-13(17)19-6/h10,12,14H,7-9H2,1-6H3,(H2,16,18)/b11-10-/t12-,14-/m1/s1
InChIKeyCBVOENHYXRKIRF-XVGBTMSLSA-N
XLogP2.98
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl] carbamate
CID 101213229
Ethyl (4R*,5R*)-(E)-5-(carbamoyl)oxy-4-(triethylsilyl)oxy-2-hexenoate
CID 101588279
[(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl] carbamate
CID 16202479
ethyl (E,4R,5R)-5-carbamoyloxy-4-trimethylsilyloxyhex-2-enoate
CID 101587995
ethyl (E,4S,5S)-5-carbamoyloxy-4-trimethylsilyloxyhex-2-enoate
CID 101587996
ethyl (E,4S,5S)-5-carbamoyloxy-4-triethylsilyloxyhex-2-enoate
CID 101588280
methyl (Z,4S,5S)-5-carbamoyloxy-3-methyl-4-triethylsilyloxyhex-2-enoate
CID 177587707

Frequently Asked Questions

What is the IUPAC name of methyl (Z,4R,5R)-5-carbamoyloxy-3-methyl-4-triethylsilyloxyhex-2-enoate?
The IUPAC name of methyl (Z,4R,5R)-5-carbamoyloxy-3-methyl-4-triethylsilyloxyhex-2-enoate (CID 134723250) is methyl (Z,4R,5R)-5-carbamoyloxy-3-methyl-4-triethylsilyloxyhex-2-enoate.
What is the SMILES notation for methyl (Z,4R,5R)-5-carbamoyloxy-3-methyl-4-triethylsilyloxyhex-2-enoate?
The canonical SMILES for methyl (Z,4R,5R)-5-carbamoyloxy-3-methyl-4-triethylsilyloxyhex-2-enoate is CC[Si](CC)(CC)O[C@H](/C(C)=C\C(=O)OC)[C@@H](C)OC(N)=O.
What is the InChIKey of methyl (Z,4R,5R)-5-carbamoyloxy-3-methyl-4-triethylsilyloxyhex-2-enoate?
The InChIKey is CBVOENHYXRKIRF-XVGBTMSLSA-N. The full InChI is InChI=1S/C15H29NO5Si/c1-7-22(8-2,9-3)21-14(12(5)20-15(16)18)11(4)10-13(17)19-6/h10,12,14H,7-9H2,1-6H3,(H2,16,18)/b11-10-/t12-,14-/m1/s1.
What are the key properties of methyl (Z,4R,5R)-5-carbamoyloxy-3-methyl-4-triethylsilyloxyhex-2-enoate?
methyl (Z,4R,5R)-5-carbamoyloxy-3-methyl-4-triethylsilyloxyhex-2-enoate has a molecular weight of 331.49 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z,4R,5R)-5-carbamoyloxy-3-methyl-4-triethylsilyloxyhex-2-enoate is sourced from PubChem (CID 134723250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).