(2R,6S)-4-(dimethoxymethyl)-2,6-diphenyloxane

C20H24O3 — CID 102434550

IUPAC(2R,6S)-4-(dimethoxymethyl)-2,6-diphenyloxane
SMILESCOC(OC)C1C[C@@H](c2ccccc2)O[C@@H](c2ccccc2)C1
InChIInChI=1S/C20H24O3/c1-21-20(22-2)17-13-18(15-9-5-3-6-10-15)23-19(14-17)16-11-7-4-8-12-16/h3-12,17-20H,13-14H2,1-2H3/t17?,18-,19+
InChIKeyQSGPQVJPIBKOHT-YQQQUEKLSA-N
MW312.41 g/mol
LogP4.51
Rot. Bonds5

About (2R,6S)-4-(dimethoxymethyl)-2,6-diphenyloxane

(2R,6S)-4-(dimethoxymethyl)-2,6-diphenyloxane (PubChem CID 102434550) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is (2R,6S)-4-(dimethoxymethyl)-2,6-diphenyloxane.

Molecular Properties

Compound Name(2R,6S)-4-(dimethoxymethyl)-2,6-diphenyloxane
PubChem CID102434550
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name(2R,6S)-4-(dimethoxymethyl)-2,6-diphenyloxane
SMILESCOC(OC)C1C[C@@H](c2ccccc2)O[C@@H](c2ccccc2)C1
InChIInChI=1S/C20H24O3/c1-21-20(22-2)17-13-18(15-9-5-3-6-10-15)23-19(14-17)16-11-7-4-8-12-16/h3-12,17-20H,13-14H2,1-2H3/t17?,18-,19+
InChIKeyQSGPQVJPIBKOHT-YQQQUEKLSA-N
XLogP4.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-(dimethoxymethyl)-2,6-diphenyloxane?
The IUPAC name of (2R,6S)-4-(dimethoxymethyl)-2,6-diphenyloxane (CID 102434550) is (2R,6S)-4-(dimethoxymethyl)-2,6-diphenyloxane.
What is the SMILES notation for (2R,6S)-4-(dimethoxymethyl)-2,6-diphenyloxane?
The canonical SMILES for (2R,6S)-4-(dimethoxymethyl)-2,6-diphenyloxane is COC(OC)C1C[C@@H](c2ccccc2)O[C@@H](c2ccccc2)C1.
What is the InChIKey of (2R,6S)-4-(dimethoxymethyl)-2,6-diphenyloxane?
The InChIKey is QSGPQVJPIBKOHT-YQQQUEKLSA-N. The full InChI is InChI=1S/C20H24O3/c1-21-20(22-2)17-13-18(15-9-5-3-6-10-15)23-19(14-17)16-11-7-4-8-12-16/h3-12,17-20H,13-14H2,1-2H3/t17?,18-,19+.
What are the key properties of (2R,6S)-4-(dimethoxymethyl)-2,6-diphenyloxane?
(2R,6S)-4-(dimethoxymethyl)-2,6-diphenyloxane has a molecular weight of 312.41 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-(dimethoxymethyl)-2,6-diphenyloxane is sourced from PubChem (CID 102434550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).