[3-[(2S,3R)-2,3-dimethyloxiran-2-yl]-3-trimethylsilyloxyprop-1-ynyl]-trimethylsilane

C13H26O2Si2 — CID 11038971

IUPAC[3-[(2S,3R)-2,3-dimethyloxiran-2-yl]-3-trimethylsilyloxyprop-1-ynyl]-trimethylsilane
SMILESC[C@H]1O[C@]1(C)C(C#C[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H26O2Si2/c1-11-13(2,14-11)12(15-17(6,7)8)9-10-16(3,4)5/h11-12H,1-8H3/t11-,12?,13+/m1/s1
InChIKeyLYKGJDAUZZAXHE-YPHAAILGSA-N
MW270.52 g/mol
LogP3.26
Rot. Bonds3

About [3-[(2S,3R)-2,3-dimethyloxiran-2-yl]-3-trimethylsilyloxyprop-1-ynyl]-trimethylsilane

[3-[(2S,3R)-2,3-dimethyloxiran-2-yl]-3-trimethylsilyloxyprop-1-ynyl]-trimethylsilane (PubChem CID 11038971) has the molecular formula C13H26O2Si2 and a molecular weight of 270.52 g/mol. Its IUPAC name is [3-[(2S,3R)-2,3-dimethyloxiran-2-yl]-3-trimethylsilyloxyprop-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[3-[(2S,3R)-2,3-dimethyloxiran-2-yl]-3-trimethylsilyloxyprop-1-ynyl]-trimethylsilane
PubChem CID11038971
Molecular FormulaC13H26O2Si2
Molecular Weight270.52 g/mol
Exact Mass270.15
IUPAC Name[3-[(2S,3R)-2,3-dimethyloxiran-2-yl]-3-trimethylsilyloxyprop-1-ynyl]-trimethylsilane
SMILESC[C@H]1O[C@]1(C)C(C#C[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H26O2Si2/c1-11-13(2,14-11)12(15-17(6,7)8)9-10-16(3,4)5/h11-12H,1-8H3/t11-,12?,13+/m1/s1
InChIKeyLYKGJDAUZZAXHE-YPHAAILGSA-N
XLogP3.26
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.52
LogP ≤ 53.26
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'}

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Frequently Asked Questions

What is the IUPAC name of [3-[(2S,3R)-2,3-dimethyloxiran-2-yl]-3-trimethylsilyloxyprop-1-ynyl]-trimethylsilane?
The IUPAC name of [3-[(2S,3R)-2,3-dimethyloxiran-2-yl]-3-trimethylsilyloxyprop-1-ynyl]-trimethylsilane (CID 11038971) is [3-[(2S,3R)-2,3-dimethyloxiran-2-yl]-3-trimethylsilyloxyprop-1-ynyl]-trimethylsilane.
What is the SMILES notation for [3-[(2S,3R)-2,3-dimethyloxiran-2-yl]-3-trimethylsilyloxyprop-1-ynyl]-trimethylsilane?
The canonical SMILES for [3-[(2S,3R)-2,3-dimethyloxiran-2-yl]-3-trimethylsilyloxyprop-1-ynyl]-trimethylsilane is C[C@H]1O[C@]1(C)C(C#C[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of [3-[(2S,3R)-2,3-dimethyloxiran-2-yl]-3-trimethylsilyloxyprop-1-ynyl]-trimethylsilane?
The InChIKey is LYKGJDAUZZAXHE-YPHAAILGSA-N. The full InChI is InChI=1S/C13H26O2Si2/c1-11-13(2,14-11)12(15-17(6,7)8)9-10-16(3,4)5/h11-12H,1-8H3/t11-,12?,13+/m1/s1.
What are the key properties of [3-[(2S,3R)-2,3-dimethyloxiran-2-yl]-3-trimethylsilyloxyprop-1-ynyl]-trimethylsilane?
[3-[(2S,3R)-2,3-dimethyloxiran-2-yl]-3-trimethylsilyloxyprop-1-ynyl]-trimethylsilane has a molecular weight of 270.52 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2S,3R)-2,3-dimethyloxiran-2-yl]-3-trimethylsilyloxyprop-1-ynyl]-trimethylsilane is sourced from PubChem (CID 11038971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).