trimethyl-[2-[(2S,3R)-3-methyl-3-phenyloxiran-2-yl]ethynyl]silane

C14H18OSi — CID 11107163

IUPACtrimethyl-[2-[(2S,3R)-3-methyl-3-phenyloxiran-2-yl]ethynyl]silane
SMILESC[C@]1(c2ccccc2)O[C@H]1C#C[Si](C)(C)C
InChIInChI=1S/C14H18OSi/c1-14(12-8-6-5-7-9-12)13(15-14)10-11-16(2,3)4/h5-9,13H,1-4H3/t13-,14+/m0/s1
InChIKeyUFQKEGOFRKZUDI-UONOGXRCSA-N
MW230.38 g/mol
LogP3.18
Rot. Bonds1

About trimethyl-[2-[(2S,3R)-3-methyl-3-phenyloxiran-2-yl]ethynyl]silane

trimethyl-[2-[(2S,3R)-3-methyl-3-phenyloxiran-2-yl]ethynyl]silane (PubChem CID 11107163) has the molecular formula C14H18OSi and a molecular weight of 230.38 g/mol. Its IUPAC name is trimethyl-[2-[(2S,3R)-3-methyl-3-phenyloxiran-2-yl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[(2S,3R)-3-methyl-3-phenyloxiran-2-yl]ethynyl]silane
PubChem CID11107163
Molecular FormulaC14H18OSi
Molecular Weight230.38 g/mol
Exact Mass230.11
IUPAC Nametrimethyl-[2-[(2S,3R)-3-methyl-3-phenyloxiran-2-yl]ethynyl]silane
SMILESC[C@]1(c2ccccc2)O[C@H]1C#C[Si](C)(C)C
InChIInChI=1S/C14H18OSi/c1-14(12-8-6-5-7-9-12)13(15-14)10-11-16(2,3)4/h5-9,13H,1-4H3/t13-,14+/m0/s1
InChIKeyUFQKEGOFRKZUDI-UONOGXRCSA-N
XLogP3.18
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 trimethyl-[2-[(2S,3R)-3-methyl-3-phenyloxiran-2-yl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[(2S,3R)-3-methyl-3-phenyloxiran-2-yl]ethynyl]silane (CID 11107163) is trimethyl-[2-[(2S,3R)-3-methyl-3-phenyloxiran-2-yl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[(2S,3R)-3-methyl-3-phenyloxiran-2-yl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[(2S,3R)-3-methyl-3-phenyloxiran-2-yl]ethynyl]silane is C[C@]1(c2ccccc2)O[C@H]1C#C[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-[(2S,3R)-3-methyl-3-phenyloxiran-2-yl]ethynyl]silane?
The InChIKey is UFQKEGOFRKZUDI-UONOGXRCSA-N. The full InChI is InChI=1S/C14H18OSi/c1-14(12-8-6-5-7-9-12)13(15-14)10-11-16(2,3)4/h5-9,13H,1-4H3/t13-,14+/m0/s1.
What are the key properties of trimethyl-[2-[(2S,3R)-3-methyl-3-phenyloxiran-2-yl]ethynyl]silane?
trimethyl-[2-[(2S,3R)-3-methyl-3-phenyloxiran-2-yl]ethynyl]silane has a molecular weight of 230.38 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(2S,3R)-3-methyl-3-phenyloxiran-2-yl]ethynyl]silane is sourced from PubChem (CID 11107163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).