methyl (E)-3-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-3-methoxyprop-2-enoate

C15H28O4Si — CID 101200308

IUPACmethyl (E)-3-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-3-methoxyprop-2-enoate
SMILESCOC(=O)/C=C(/OC)[C@@H]1C[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O4Si/c1-15(2,3)20(6,7)19-10-11-8-12(11)13(17-4)9-14(16)18-5/h9,11-12H,8,10H2,1-7H3/b13-9+/t11-,12-/m1/s1
InChIKeyBSPOJJDLEYALEG-AJGRILASSA-N
MW300.47 g/mol
LogP3.35
Rot. Bonds6

About methyl (E)-3-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-3-methoxyprop-2-enoate

methyl (E)-3-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-3-methoxyprop-2-enoate (PubChem CID 101200308) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is methyl (E)-3-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-3-methoxyprop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-3-methoxyprop-2-enoate
PubChem CID101200308
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Namemethyl (E)-3-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-3-methoxyprop-2-enoate
SMILESCOC(=O)/C=C(/OC)[C@@H]1C[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O4Si/c1-15(2,3)20(6,7)19-10-11-8-12(11)13(17-4)9-14(16)18-5/h9,11-12H,8,10H2,1-7H3/b13-9+/t11-,12-/m1/s1
InChIKeyBSPOJJDLEYALEG-AJGRILASSA-N
XLogP3.35
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.35
H-Bond Donors ≤ 50
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 (E)-3-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-3-methoxyprop-2-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)-3-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-3-methoxyprop-2-enoate?
The IUPAC name of methyl (E)-3-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-3-methoxyprop-2-enoate (CID 101200308) is methyl (E)-3-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-3-methoxyprop-2-enoate.
What is the SMILES notation for methyl (E)-3-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-3-methoxyprop-2-enoate?
The canonical SMILES for methyl (E)-3-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-3-methoxyprop-2-enoate is COC(=O)/C=C(/OC)[C@@H]1C[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E)-3-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-3-methoxyprop-2-enoate?
The InChIKey is BSPOJJDLEYALEG-AJGRILASSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-15(2,3)20(6,7)19-10-11-8-12(11)13(17-4)9-14(16)18-5/h9,11-12H,8,10H2,1-7H3/b13-9+/t11-,12-/m1/s1.
What are the key properties of methyl (E)-3-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-3-methoxyprop-2-enoate?
methyl (E)-3-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-3-methoxyprop-2-enoate has a molecular weight of 300.47 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-3-methoxyprop-2-enoate is sourced from PubChem (CID 101200308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).