oxan-2-yl 2,2,2-triphenylacetate

C25H24O3 — CID 18999424

IUPACoxan-2-yl 2,2,2-triphenylacetate
SMILESO=C(OC1CCCCO1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24O3/c26-24(28-23-18-10-11-19-27-23)25(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17,23H,10-11,18-19H2
InChIKeyQCOIKLLJQOLRTM-UHFFFAOYSA-N
MW372.46 g/mol
LogP5.09
Rot. Bonds5

About oxan-2-yl 2,2,2-triphenylacetate

oxan-2-yl 2,2,2-triphenylacetate (PubChem CID 18999424) has the molecular formula C25H24O3 and a molecular weight of 372.46 g/mol. Its IUPAC name is oxan-2-yl 2,2,2-triphenylacetate.

Molecular Properties

Compound Nameoxan-2-yl 2,2,2-triphenylacetate
PubChem CID18999424
Molecular FormulaC25H24O3
Molecular Weight372.46 g/mol
Exact Mass372.17
IUPAC Nameoxan-2-yl 2,2,2-triphenylacetate
SMILESO=C(OC1CCCCO1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24O3/c26-24(28-23-18-10-11-19-27-23)25(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17,23H,10-11,18-19H2
InChIKeyQCOIKLLJQOLRTM-UHFFFAOYSA-N
XLogP5.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.46
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxan-2-yl 2,2,2-triphenylacetate?
The IUPAC name of oxan-2-yl 2,2,2-triphenylacetate (CID 18999424) is oxan-2-yl 2,2,2-triphenylacetate.
What is the SMILES notation for oxan-2-yl 2,2,2-triphenylacetate?
The canonical SMILES for oxan-2-yl 2,2,2-triphenylacetate is O=C(OC1CCCCO1)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of oxan-2-yl 2,2,2-triphenylacetate?
The InChIKey is QCOIKLLJQOLRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O3/c26-24(28-23-18-10-11-19-27-23)25(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17,23H,10-11,18-19H2.
What are the key properties of oxan-2-yl 2,2,2-triphenylacetate?
oxan-2-yl 2,2,2-triphenylacetate has a molecular weight of 372.46 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-yl 2,2,2-triphenylacetate is sourced from PubChem (CID 18999424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).