(4R)-5,5,6,6-tetramethoxy-4-phenyl-4H-pyran-3-carbonitrile

C16H19NO5 — CID 7285344

IUPAC(4R)-5,5,6,6-tetramethoxy-4-phenyl-4H-pyran-3-carbonitrile
SMILESCOC1(OC)OC=C(C#N)[C@@H](c2ccccc2)C1(OC)OC
InChIInChI=1S/C16H19NO5/c1-18-15(19-2)14(12-8-6-5-7-9-12)13(10-17)11-22-16(15,20-3)21-4/h5-9,11,14H,1-4H3/t14-/m1/s1
InChIKeyHULCTWQDMZDEJS-CQSZACIVSA-N
MW305.33 g/mol
LogP2.14
Rot. Bonds5

About (4R)-5,5,6,6-tetramethoxy-4-phenyl-4H-pyran-3-carbonitrile

(4R)-5,5,6,6-tetramethoxy-4-phenyl-4H-pyran-3-carbonitrile (PubChem CID 7285344) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is (4R)-5,5,6,6-tetramethoxy-4-phenyl-4H-pyran-3-carbonitrile.

Molecular Properties

Compound Name(4R)-5,5,6,6-tetramethoxy-4-phenyl-4H-pyran-3-carbonitrile
PubChem CID7285344
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name(4R)-5,5,6,6-tetramethoxy-4-phenyl-4H-pyran-3-carbonitrile
SMILESCOC1(OC)OC=C(C#N)[C@@H](c2ccccc2)C1(OC)OC
InChIInChI=1S/C16H19NO5/c1-18-15(19-2)14(12-8-6-5-7-9-12)13(10-17)11-22-16(15,20-3)21-4/h5-9,11,14H,1-4H3/t14-/m1/s1
InChIKeyHULCTWQDMZDEJS-CQSZACIVSA-N
XLogP2.14
TPSA69.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (4R)-5,5,6,6-tetramethoxy-4-phenyl-4H-pyran-3-carbonitrile?
The IUPAC name of (4R)-5,5,6,6-tetramethoxy-4-phenyl-4H-pyran-3-carbonitrile (CID 7285344) is (4R)-5,5,6,6-tetramethoxy-4-phenyl-4H-pyran-3-carbonitrile.
What is the SMILES notation for (4R)-5,5,6,6-tetramethoxy-4-phenyl-4H-pyran-3-carbonitrile?
The canonical SMILES for (4R)-5,5,6,6-tetramethoxy-4-phenyl-4H-pyran-3-carbonitrile is COC1(OC)OC=C(C#N)[C@@H](c2ccccc2)C1(OC)OC.
What is the InChIKey of (4R)-5,5,6,6-tetramethoxy-4-phenyl-4H-pyran-3-carbonitrile?
The InChIKey is HULCTWQDMZDEJS-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19NO5/c1-18-15(19-2)14(12-8-6-5-7-9-12)13(10-17)11-22-16(15,20-3)21-4/h5-9,11,14H,1-4H3/t14-/m1/s1.
What are the key properties of (4R)-5,5,6,6-tetramethoxy-4-phenyl-4H-pyran-3-carbonitrile?
(4R)-5,5,6,6-tetramethoxy-4-phenyl-4H-pyran-3-carbonitrile has a molecular weight of 305.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5,5,6,6-tetramethoxy-4-phenyl-4H-pyran-3-carbonitrile is sourced from PubChem (CID 7285344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).