(2S)-2-(trityloxymethyl)-3,6-dihydro-2H-pyran

C25H24O2 — CID 11360282

IUPAC(2S)-2-(trityloxymethyl)-3,6-dihydro-2H-pyran
SMILESC1=CC[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC1
InChIInChI=1S/C25H24O2/c1-4-12-21(13-5-1)25(22-14-6-2-7-15-22,23-16-8-3-9-17-23)27-20-24-18-10-11-19-26-24/h1-17,24H,18-20H2/t24-/m0/s1
InChIKeyUWYJPFNZHBXFRC-DEOSSOPVSA-N
MW356.47 g/mol
LogP5.34
Rot. Bonds6

About (2S)-2-(trityloxymethyl)-3,6-dihydro-2H-pyran

(2S)-2-(trityloxymethyl)-3,6-dihydro-2H-pyran (PubChem CID 11360282) has the molecular formula C25H24O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is (2S)-2-(trityloxymethyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S)-2-(trityloxymethyl)-3,6-dihydro-2H-pyran
PubChem CID11360282
Molecular FormulaC25H24O2
Molecular Weight356.47 g/mol
Exact Mass356.18
IUPAC Name(2S)-2-(trityloxymethyl)-3,6-dihydro-2H-pyran
SMILESC1=CC[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC1
InChIInChI=1S/C25H24O2/c1-4-12-21(13-5-1)25(22-14-6-2-7-15-22,23-16-8-3-9-17-23)27-20-24-18-10-11-19-26-24/h1-17,24H,18-20H2/t24-/m0/s1
InChIKeyUWYJPFNZHBXFRC-DEOSSOPVSA-N
XLogP5.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(trityloxymethyl)-3,6-dihydro-2H-pyran?
The IUPAC name of (2S)-2-(trityloxymethyl)-3,6-dihydro-2H-pyran (CID 11360282) is (2S)-2-(trityloxymethyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S)-2-(trityloxymethyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S)-2-(trityloxymethyl)-3,6-dihydro-2H-pyran is C1=CC[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC1.
What is the InChIKey of (2S)-2-(trityloxymethyl)-3,6-dihydro-2H-pyran?
The InChIKey is UWYJPFNZHBXFRC-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H24O2/c1-4-12-21(13-5-1)25(22-14-6-2-7-15-22,23-16-8-3-9-17-23)27-20-24-18-10-11-19-26-24/h1-17,24H,18-20H2/t24-/m0/s1.
What are the key properties of (2S)-2-(trityloxymethyl)-3,6-dihydro-2H-pyran?
(2S)-2-(trityloxymethyl)-3,6-dihydro-2H-pyran has a molecular weight of 356.47 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(trityloxymethyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 11360282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).