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

C18H30OSi — CID 101214220

IUPACtriethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]propoxy]silane
SMILESCC[C@H](O[Si](CC)(CC)CC)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C18H30OSi/c1-5-18(19-20(6-2,7-3)8-4)17-14-16(17)15-12-10-9-11-13-15/h9-13,16-18H,5-8,14H2,1-4H3/t16-,17+,18-/m0/s1
InChIKeyUWNWPKFFLZIWTA-KSZLIROESA-N
MW290.52 g/mol
LogP5.59
Rot. Bonds8

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

triethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]propoxy]silane (PubChem CID 101214220) has the molecular formula C18H30OSi and a molecular weight of 290.52 g/mol. Its IUPAC name is triethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]propoxy]silane.

Molecular Properties

Compound Nametriethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]propoxy]silane
PubChem CID101214220
Molecular FormulaC18H30OSi
Molecular Weight290.52 g/mol
Exact Mass290.21
IUPAC Nametriethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]propoxy]silane
SMILESCC[C@H](O[Si](CC)(CC)CC)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C18H30OSi/c1-5-18(19-20(6-2,7-3)8-4)17-14-16(17)15-12-10-9-11-13-15/h9-13,16-18H,5-8,14H2,1-4H3/t16-,17+,18-/m0/s1
InChIKeyUWNWPKFFLZIWTA-KSZLIROESA-N
XLogP5.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.52
LogP ≤ 55.59
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]propoxy]silane?
The IUPAC name of triethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]propoxy]silane (CID 101214220) is triethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]propoxy]silane.
What is the SMILES notation for triethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]propoxy]silane?
The canonical SMILES for triethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]propoxy]silane is CC[C@H](O[Si](CC)(CC)CC)[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of triethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]propoxy]silane?
The InChIKey is UWNWPKFFLZIWTA-KSZLIROESA-N. The full InChI is InChI=1S/C18H30OSi/c1-5-18(19-20(6-2,7-3)8-4)17-14-16(17)15-12-10-9-11-13-15/h9-13,16-18H,5-8,14H2,1-4H3/t16-,17+,18-/m0/s1.
What are the key properties of triethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]propoxy]silane?
triethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]propoxy]silane has a molecular weight of 290.52 g/mol, XLogP of 5.59, 8 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]propoxy]silane is sourced from PubChem (CID 101214220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).