trimethyl-[(1S,2R)-2-[(2R)-oxiran-2-yl]-1-phenylpropyl]silane

C14H22OSi — CID 101496989

IUPACtrimethyl-[(1S,2R)-2-[(2R)-oxiran-2-yl]-1-phenylpropyl]silane
SMILESC[C@H]([C@@H]1CO1)[C@@H](c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C14H22OSi/c1-11(13-10-15-13)14(16(2,3)4)12-8-6-5-7-9-12/h5-9,11,13-14H,10H2,1-4H3/t11-,13+,14+/m1/s1
InChIKeyQOIQXZDALZMPJL-XBFCOCLRSA-N
MW234.42 g/mol
LogP3.68
Rot. Bonds4

About trimethyl-[(1S,2R)-2-[(2R)-oxiran-2-yl]-1-phenylpropyl]silane

trimethyl-[(1S,2R)-2-[(2R)-oxiran-2-yl]-1-phenylpropyl]silane (PubChem CID 101496989) has the molecular formula C14H22OSi and a molecular weight of 234.42 g/mol. Its IUPAC name is trimethyl-[(1S,2R)-2-[(2R)-oxiran-2-yl]-1-phenylpropyl]silane.

Molecular Properties

Compound Nametrimethyl-[(1S,2R)-2-[(2R)-oxiran-2-yl]-1-phenylpropyl]silane
PubChem CID101496989
Molecular FormulaC14H22OSi
Molecular Weight234.42 g/mol
Exact Mass234.14
IUPAC Nametrimethyl-[(1S,2R)-2-[(2R)-oxiran-2-yl]-1-phenylpropyl]silane
SMILESC[C@H]([C@@H]1CO1)[C@@H](c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C14H22OSi/c1-11(13-10-15-13)14(16(2,3)4)12-8-6-5-7-9-12/h5-9,11,13-14H,10H2,1-4H3/t11-,13+,14+/m1/s1
InChIKeyQOIQXZDALZMPJL-XBFCOCLRSA-N
XLogP3.68
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.42
LogP ≤ 53.68
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'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(1S,2R)-2-[(2R)-oxiran-2-yl]-1-phenylpropyl]silane?
The IUPAC name of trimethyl-[(1S,2R)-2-[(2R)-oxiran-2-yl]-1-phenylpropyl]silane (CID 101496989) is trimethyl-[(1S,2R)-2-[(2R)-oxiran-2-yl]-1-phenylpropyl]silane.
What is the SMILES notation for trimethyl-[(1S,2R)-2-[(2R)-oxiran-2-yl]-1-phenylpropyl]silane?
The canonical SMILES for trimethyl-[(1S,2R)-2-[(2R)-oxiran-2-yl]-1-phenylpropyl]silane is C[C@H]([C@@H]1CO1)[C@@H](c1ccccc1)[Si](C)(C)C.
What is the InChIKey of trimethyl-[(1S,2R)-2-[(2R)-oxiran-2-yl]-1-phenylpropyl]silane?
The InChIKey is QOIQXZDALZMPJL-XBFCOCLRSA-N. The full InChI is InChI=1S/C14H22OSi/c1-11(13-10-15-13)14(16(2,3)4)12-8-6-5-7-9-12/h5-9,11,13-14H,10H2,1-4H3/t11-,13+,14+/m1/s1.
What are the key properties of trimethyl-[(1S,2R)-2-[(2R)-oxiran-2-yl]-1-phenylpropyl]silane?
trimethyl-[(1S,2R)-2-[(2R)-oxiran-2-yl]-1-phenylpropyl]silane has a molecular weight of 234.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1S,2R)-2-[(2R)-oxiran-2-yl]-1-phenylpropyl]silane is sourced from PubChem (CID 101496989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).