methyl (E,2R,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylhex-4-enoate

C15H29NO4Si — CID 12968503

IUPACmethyl (E,2R,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylhex-4-enoate
SMILESC/C=C/[C@H]([C@H](NC(=O)OC(C)(C)C)C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C15H29NO4Si/c1-9-10-11(21(6,7)8)12(13(17)19-5)16-14(18)20-15(2,3)4/h9-12H,1-8H3,(H,16,18)/b10-9+/t11-,12+/m1/s1
InChIKeyIUAJJFLYKLQEJW-ZGFRAZBVSA-N
MW315.49 g/mol
LogP3.34
Rot. Bonds5

About methyl (E,2R,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylhex-4-enoate

methyl (E,2R,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylhex-4-enoate (PubChem CID 12968503) has the molecular formula C15H29NO4Si and a molecular weight of 315.49 g/mol. Its IUPAC name is methyl (E,2R,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylhex-4-enoate.

Molecular Properties

Compound Namemethyl (E,2R,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylhex-4-enoate
PubChem CID12968503
Molecular FormulaC15H29NO4Si
Molecular Weight315.49 g/mol
Exact Mass315.19
IUPAC Namemethyl (E,2R,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylhex-4-enoate
SMILESC/C=C/[C@H]([C@H](NC(=O)OC(C)(C)C)C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C15H29NO4Si/c1-9-10-11(21(6,7)8)12(13(17)19-5)16-14(18)20-15(2,3)4/h9-12H,1-8H3,(H,16,18)/b10-9+/t11-,12+/m1/s1
InChIKeyIUAJJFLYKLQEJW-ZGFRAZBVSA-N
XLogP3.34
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.49
LogP ≤ 53.34
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'}

Analyze methyl (E,2R,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylhex-4-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (E,2R,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylhex-4-enoate?
The IUPAC name of methyl (E,2R,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylhex-4-enoate (CID 12968503) is methyl (E,2R,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylhex-4-enoate.
What is the SMILES notation for methyl (E,2R,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylhex-4-enoate?
The canonical SMILES for methyl (E,2R,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylhex-4-enoate is C/C=C/[C@H]([C@H](NC(=O)OC(C)(C)C)C(=O)OC)[Si](C)(C)C.
What is the InChIKey of methyl (E,2R,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylhex-4-enoate?
The InChIKey is IUAJJFLYKLQEJW-ZGFRAZBVSA-N. The full InChI is InChI=1S/C15H29NO4Si/c1-9-10-11(21(6,7)8)12(13(17)19-5)16-14(18)20-15(2,3)4/h9-12H,1-8H3,(H,16,18)/b10-9+/t11-,12+/m1/s1.
What are the key properties of methyl (E,2R,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylhex-4-enoate?
methyl (E,2R,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylhex-4-enoate has a molecular weight of 315.49 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,2R,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylhex-4-enoate is sourced from PubChem (CID 12968503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).