tert-butyl-[(2R)-2-(methoxymethoxy)but-3-enoxy]-dimethylsilane;(2S)-2-ethyloxirane

C16H34O4Si — CID 123762287

IUPACtert-butyl-[(2R)-2-(methoxymethoxy)but-3-enoxy]-dimethylsilane;(2S)-2-ethyloxirane
SMILESC=C[C@H](CO[Si](C)(C)C(C)(C)C)OCOC.CC[C@H]1CO1
InChIInChI=1S/C12H26O3Si.C4H8O/c1-8-11(14-10-13-5)9-15-16(6,7)12(2,3)4;1-2-4-3-5-4/h8,11H,1,9-10H2,2-7H3;4H,2-3H2,1H3/t11-;4-/m10/s1
InChIKeyBWAVBNHGKZNWFZ-PPXKCNQSSA-N
MW318.53 g/mol
LogP3.98
Rot. Bonds8

About tert-butyl-[(2R)-2-(methoxymethoxy)but-3-enoxy]-dimethylsilane;(2S)-2-ethyloxirane

tert-butyl-[(2R)-2-(methoxymethoxy)but-3-enoxy]-dimethylsilane;(2S)-2-ethyloxirane (PubChem CID 123762287) has the molecular formula C16H34O4Si and a molecular weight of 318.53 g/mol. Its IUPAC name is tert-butyl-[(2R)-2-(methoxymethoxy)but-3-enoxy]-dimethylsilane;(2S)-2-ethyloxirane.

Molecular Properties

Compound Nametert-butyl-[(2R)-2-(methoxymethoxy)but-3-enoxy]-dimethylsilane;(2S)-2-ethyloxirane
PubChem CID123762287
Molecular FormulaC16H34O4Si
Molecular Weight318.53 g/mol
Exact Mass318.22
IUPAC Nametert-butyl-[(2R)-2-(methoxymethoxy)but-3-enoxy]-dimethylsilane;(2S)-2-ethyloxirane
SMILESC=C[C@H](CO[Si](C)(C)C(C)(C)C)OCOC.CC[C@H]1CO1
InChIInChI=1S/C12H26O3Si.C4H8O/c1-8-11(14-10-13-5)9-15-16(6,7)12(2,3)4;1-2-4-3-5-4/h8,11H,1,9-10H2,2-7H3;4H,2-3H2,1H3/t11-;4-/m10/s1
InChIKeyBWAVBNHGKZNWFZ-PPXKCNQSSA-N
XLogP3.98
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze tert-butyl-[(2R)-2-(methoxymethoxy)but-3-enoxy]-dimethylsilane;(2S)-2-ethyloxirane 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 tert-butyl-[(2R)-2-(methoxymethoxy)but-3-enoxy]-dimethylsilane;(2S)-2-ethyloxirane?
The IUPAC name of tert-butyl-[(2R)-2-(methoxymethoxy)but-3-enoxy]-dimethylsilane;(2S)-2-ethyloxirane (CID 123762287) is tert-butyl-[(2R)-2-(methoxymethoxy)but-3-enoxy]-dimethylsilane;(2S)-2-ethyloxirane.
What is the SMILES notation for tert-butyl-[(2R)-2-(methoxymethoxy)but-3-enoxy]-dimethylsilane;(2S)-2-ethyloxirane?
The canonical SMILES for tert-butyl-[(2R)-2-(methoxymethoxy)but-3-enoxy]-dimethylsilane;(2S)-2-ethyloxirane is C=C[C@H](CO[Si](C)(C)C(C)(C)C)OCOC.CC[C@H]1CO1.
What is the InChIKey of tert-butyl-[(2R)-2-(methoxymethoxy)but-3-enoxy]-dimethylsilane;(2S)-2-ethyloxirane?
The InChIKey is BWAVBNHGKZNWFZ-PPXKCNQSSA-N. The full InChI is InChI=1S/C12H26O3Si.C4H8O/c1-8-11(14-10-13-5)9-15-16(6,7)12(2,3)4;1-2-4-3-5-4/h8,11H,1,9-10H2,2-7H3;4H,2-3H2,1H3/t11-;4-/m10/s1.
What are the key properties of tert-butyl-[(2R)-2-(methoxymethoxy)but-3-enoxy]-dimethylsilane;(2S)-2-ethyloxirane?
tert-butyl-[(2R)-2-(methoxymethoxy)but-3-enoxy]-dimethylsilane;(2S)-2-ethyloxirane has a molecular weight of 318.53 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-2-(methoxymethoxy)but-3-enoxy]-dimethylsilane;(2S)-2-ethyloxirane is sourced from PubChem (CID 123762287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).