tert-butyl-[[(2S,3S)-3-[(2S)-but-3-yn-2-yl]-2-methyloxiran-2-yl]methoxy]-dimethylsilane

C14H26O2Si — CID 138969957

IUPACtert-butyl-[[(2S,3S)-3-[(2S)-but-3-yn-2-yl]-2-methyloxiran-2-yl]methoxy]-dimethylsilane
SMILESC#C[C@H](C)[C@@H]1O[C@@]1(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-9-11(2)12-14(6,16-12)10-15-17(7,8)13(3,4)5/h1,11-12H,10H2,2-8H3/t11-,12-,14-/m0/s1
InChIKeyXEEKTJJMXGGPNA-OBJOEFQTSA-N
MW254.45 g/mol
LogP3.43
Rot. Bonds4

About tert-butyl-[[(2S,3S)-3-[(2S)-but-3-yn-2-yl]-2-methyloxiran-2-yl]methoxy]-dimethylsilane

tert-butyl-[[(2S,3S)-3-[(2S)-but-3-yn-2-yl]-2-methyloxiran-2-yl]methoxy]-dimethylsilane (PubChem CID 138969957) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is tert-butyl-[[(2S,3S)-3-[(2S)-but-3-yn-2-yl]-2-methyloxiran-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,3S)-3-[(2S)-but-3-yn-2-yl]-2-methyloxiran-2-yl]methoxy]-dimethylsilane
PubChem CID138969957
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Nametert-butyl-[[(2S,3S)-3-[(2S)-but-3-yn-2-yl]-2-methyloxiran-2-yl]methoxy]-dimethylsilane
SMILESC#C[C@H](C)[C@@H]1O[C@@]1(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-9-11(2)12-14(6,16-12)10-15-17(7,8)13(3,4)5/h1,11-12H,10H2,2-8H3/t11-,12-,14-/m0/s1
InChIKeyXEEKTJJMXGGPNA-OBJOEFQTSA-N
XLogP3.43
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-[[(2S,3S)-3-[(2S)-but-3-yn-2-yl]-2-methyloxiran-2-yl]methoxy]-dimethylsilane with MolForge

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

Launch Full Analysis

Related Compounds

Tert-butyl-dimethyl-[(3-methyl-3-prop-1-ynyloxiran-2-yl)methoxy]silane
CID 85145117
tert-butyl-[[(2S)-3-ethynyloxiran-2-yl]methoxy]-dimethylsilane
CID 134841832
tert-butyl-[[(2S,3R)-3-ethynyloxiran-2-yl]methoxy]-dimethylsilane
CID 134860685
tert-butyl-[[(2S,3S)-3-ethynyloxiran-2-yl]methoxy]-dimethylsilane
CID 134860715
tert-butyl-[[(2S,3R)-3-but-3-ynyloxiran-2-yl]methoxy]-dimethylsilane
CID 155936769
tert-butyl-dimethyl-[[(2S,3R)-3-propan-2-yloxiran-2-yl]methoxy]silane
CID 155936878
Wjfpedmbsgqjcf-avgnslfasa-
CID 11065056
Ethoxy-dimethyl-[2-methyl-5-(oxiran-2-ylmethoxy)pentyl]silane
CID 174952069
tert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-prop-1-ynyloxiran-2-yl]methoxy]silane
CID 10444333
tert-butyl-[[(2R,3R)-3-but-1-ynyl-3-methyloxiran-2-yl]methoxy]-dimethylsilane
CID 10445046
[3-[(2S,3R)-2,3-dimethyloxiran-2-yl]-3-trimethylsilyloxyprop-1-ynyl]-trimethylsilane
CID 11038971
tert-butyl-[[(2S,3R)-3-ethynyl-3-methyloxiran-2-yl]methoxy]-dimethylsilane
CID 11172190

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S,3S)-3-[(2S)-but-3-yn-2-yl]-2-methyloxiran-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2S,3S)-3-[(2S)-but-3-yn-2-yl]-2-methyloxiran-2-yl]methoxy]-dimethylsilane (CID 138969957) is tert-butyl-[[(2S,3S)-3-[(2S)-but-3-yn-2-yl]-2-methyloxiran-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2S,3S)-3-[(2S)-but-3-yn-2-yl]-2-methyloxiran-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2S,3S)-3-[(2S)-but-3-yn-2-yl]-2-methyloxiran-2-yl]methoxy]-dimethylsilane is C#C[C@H](C)[C@@H]1O[C@@]1(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(2S,3S)-3-[(2S)-but-3-yn-2-yl]-2-methyloxiran-2-yl]methoxy]-dimethylsilane?
The InChIKey is XEEKTJJMXGGPNA-OBJOEFQTSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-9-11(2)12-14(6,16-12)10-15-17(7,8)13(3,4)5/h1,11-12H,10H2,2-8H3/t11-,12-,14-/m0/s1.
What are the key properties of tert-butyl-[[(2S,3S)-3-[(2S)-but-3-yn-2-yl]-2-methyloxiran-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[(2S,3S)-3-[(2S)-but-3-yn-2-yl]-2-methyloxiran-2-yl]methoxy]-dimethylsilane has a molecular weight of 254.45 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S,3S)-3-[(2S)-but-3-yn-2-yl]-2-methyloxiran-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 138969957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).