triethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]ethoxy]silane

C17H28OSi — CID 101214217

IUPACtriethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]ethoxy]silane
SMILESCC[Si](CC)(CC)O[C@@H](C)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C17H28OSi/c1-5-19(6-2,7-3)18-14(4)16-13-17(16)15-11-9-8-10-12-15/h8-12,14,16-17H,5-7,13H2,1-4H3/t14-,16-,17-/m0/s1
InChIKeyAXFMNOHATIIGJF-XIRDDKMYSA-N
MW276.50 g/mol
LogP5.20
Rot. Bonds7

About triethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]ethoxy]silane

triethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]ethoxy]silane (PubChem CID 101214217) has the molecular formula C17H28OSi and a molecular weight of 276.50 g/mol. Its IUPAC name is triethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]ethoxy]silane.

Molecular Properties

Compound Nametriethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]ethoxy]silane
PubChem CID101214217
Molecular FormulaC17H28OSi
Molecular Weight276.50 g/mol
Exact Mass276.19
IUPAC Nametriethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]ethoxy]silane
SMILESCC[Si](CC)(CC)O[C@@H](C)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C17H28OSi/c1-5-19(6-2,7-3)18-14(4)16-13-17(16)15-11-9-8-10-12-15/h8-12,14,16-17H,5-7,13H2,1-4H3/t14-,16-,17-/m0/s1
InChIKeyAXFMNOHATIIGJF-XIRDDKMYSA-N
XLogP5.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.50
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]ethoxy]silane?
The IUPAC name of triethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]ethoxy]silane (CID 101214217) is triethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]ethoxy]silane.
What is the SMILES notation for triethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]ethoxy]silane?
The canonical SMILES for triethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]ethoxy]silane is CC[Si](CC)(CC)O[C@@H](C)[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of triethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]ethoxy]silane?
The InChIKey is AXFMNOHATIIGJF-XIRDDKMYSA-N. The full InChI is InChI=1S/C17H28OSi/c1-5-19(6-2,7-3)18-14(4)16-13-17(16)15-11-9-8-10-12-15/h8-12,14,16-17H,5-7,13H2,1-4H3/t14-,16-,17-/m0/s1.
What are the key properties of triethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]ethoxy]silane?
triethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]ethoxy]silane has a molecular weight of 276.50 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]ethoxy]silane is sourced from PubChem (CID 101214217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).