methyl (Z)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enoate

C12H22O3Si — CID 11333983

IUPACmethyl (Z)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enoate
SMILESCOC(=O)/C=C\[C@@H]1O[C@H]1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H22O3Si/c1-12(2,3)16(5,6)11-9(15-11)7-8-10(13)14-4/h7-9,11H,1-6H3/b8-7-/t9-,11-/m0/s1
InChIKeyMRBFVEYMZBBFKL-PVRKFNRASA-N
MW242.39 g/mol
LogP2.53
Rot. Bonds3

About methyl (Z)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enoate

methyl (Z)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enoate (PubChem CID 11333983) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is methyl (Z)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enoate
PubChem CID11333983
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Namemethyl (Z)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enoate
SMILESCOC(=O)/C=C\[C@@H]1O[C@H]1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H22O3Si/c1-12(2,3)16(5,6)11-9(15-11)7-8-10(13)14-4/h7-9,11H,1-6H3/b8-7-/t9-,11-/m0/s1
InChIKeyMRBFVEYMZBBFKL-PVRKFNRASA-N
XLogP2.53
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (Z)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-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 (Z)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enoate?
The IUPAC name of methyl (Z)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enoate (CID 11333983) is methyl (Z)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enoate?
The canonical SMILES for methyl (Z)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enoate is COC(=O)/C=C\[C@@H]1O[C@H]1[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (Z)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enoate?
The InChIKey is MRBFVEYMZBBFKL-PVRKFNRASA-N. The full InChI is InChI=1S/C12H22O3Si/c1-12(2,3)16(5,6)11-9(15-11)7-8-10(13)14-4/h7-9,11H,1-6H3/b8-7-/t9-,11-/m0/s1.
What are the key properties of methyl (Z)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enoate?
methyl (Z)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enoate has a molecular weight of 242.39 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enoate is sourced from PubChem (CID 11333983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).