triethyl-[2-[(2R,4S)-2-(4-fluorophenyl)oxan-4-yl]ethynyl]silane

C19H27FOSi — CID 102126070

IUPACtriethyl-[2-[(2R,4S)-2-(4-fluorophenyl)oxan-4-yl]ethynyl]silane
SMILESCC[Si](C#C[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)(CC)CC
InChIInChI=1S/C19H27FOSi/c1-4-22(5-2,6-3)14-12-16-11-13-21-19(15-16)17-7-9-18(20)10-8-17/h7-10,16,19H,4-6,11,13,15H2,1-3H3/t16-,19-/m1/s1
InChIKeyXEHGUTIFJXVPFK-VQIMIIECSA-N
MW318.51 g/mol
LogP5.34
Rot. Bonds4

About triethyl-[2-[(2R,4S)-2-(4-fluorophenyl)oxan-4-yl]ethynyl]silane

triethyl-[2-[(2R,4S)-2-(4-fluorophenyl)oxan-4-yl]ethynyl]silane (PubChem CID 102126070) has the molecular formula C19H27FOSi and a molecular weight of 318.51 g/mol. Its IUPAC name is triethyl-[2-[(2R,4S)-2-(4-fluorophenyl)oxan-4-yl]ethynyl]silane.

Molecular Properties

Compound Nametriethyl-[2-[(2R,4S)-2-(4-fluorophenyl)oxan-4-yl]ethynyl]silane
PubChem CID102126070
Molecular FormulaC19H27FOSi
Molecular Weight318.51 g/mol
Exact Mass318.18
IUPAC Nametriethyl-[2-[(2R,4S)-2-(4-fluorophenyl)oxan-4-yl]ethynyl]silane
SMILESCC[Si](C#C[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)(CC)CC
InChIInChI=1S/C19H27FOSi/c1-4-22(5-2,6-3)14-12-16-11-13-21-19(15-16)17-7-9-18(20)10-8-17/h7-10,16,19H,4-6,11,13,15H2,1-3H3/t16-,19-/m1/s1
InChIKeyXEHGUTIFJXVPFK-VQIMIIECSA-N
XLogP5.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.51
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl-[2-[(2R,4S)-2-(4-fluorophenyl)oxan-4-yl]ethynyl]silane?
The IUPAC name of triethyl-[2-[(2R,4S)-2-(4-fluorophenyl)oxan-4-yl]ethynyl]silane (CID 102126070) is triethyl-[2-[(2R,4S)-2-(4-fluorophenyl)oxan-4-yl]ethynyl]silane.
What is the SMILES notation for triethyl-[2-[(2R,4S)-2-(4-fluorophenyl)oxan-4-yl]ethynyl]silane?
The canonical SMILES for triethyl-[2-[(2R,4S)-2-(4-fluorophenyl)oxan-4-yl]ethynyl]silane is CC[Si](C#C[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)(CC)CC.
What is the InChIKey of triethyl-[2-[(2R,4S)-2-(4-fluorophenyl)oxan-4-yl]ethynyl]silane?
The InChIKey is XEHGUTIFJXVPFK-VQIMIIECSA-N. The full InChI is InChI=1S/C19H27FOSi/c1-4-22(5-2,6-3)14-12-16-11-13-21-19(15-16)17-7-9-18(20)10-8-17/h7-10,16,19H,4-6,11,13,15H2,1-3H3/t16-,19-/m1/s1.
What are the key properties of triethyl-[2-[(2R,4S)-2-(4-fluorophenyl)oxan-4-yl]ethynyl]silane?
triethyl-[2-[(2R,4S)-2-(4-fluorophenyl)oxan-4-yl]ethynyl]silane has a molecular weight of 318.51 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-[(2R,4S)-2-(4-fluorophenyl)oxan-4-yl]ethynyl]silane is sourced from PubChem (CID 102126070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).