6-methoxy-4,4-diphenylhex-5-enenitrile

C19H19NO — CID 54024114

IUPAC6-methoxy-4,4-diphenylhex-5-enenitrile
SMILESCOC=CC(CCC#N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO/c1-21-16-14-19(13-8-15-20,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,14,16H,8,13H2,1H3
InChIKeyLAYMROXWJQTIRZ-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.44
Rot. Bonds6

About 6-methoxy-4,4-diphenylhex-5-enenitrile

6-methoxy-4,4-diphenylhex-5-enenitrile (PubChem CID 54024114) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 6-methoxy-4,4-diphenylhex-5-enenitrile.

Molecular Properties

Compound Name6-methoxy-4,4-diphenylhex-5-enenitrile
PubChem CID54024114
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name6-methoxy-4,4-diphenylhex-5-enenitrile
SMILESCOC=CC(CCC#N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO/c1-21-16-14-19(13-8-15-20,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,14,16H,8,13H2,1H3
InChIKeyLAYMROXWJQTIRZ-UHFFFAOYSA-N
XLogP4.44
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4,4-diphenylhex-5-enenitrile?
The IUPAC name of 6-methoxy-4,4-diphenylhex-5-enenitrile (CID 54024114) is 6-methoxy-4,4-diphenylhex-5-enenitrile.
What is the SMILES notation for 6-methoxy-4,4-diphenylhex-5-enenitrile?
The canonical SMILES for 6-methoxy-4,4-diphenylhex-5-enenitrile is COC=CC(CCC#N)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-methoxy-4,4-diphenylhex-5-enenitrile?
The InChIKey is LAYMROXWJQTIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-21-16-14-19(13-8-15-20,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,14,16H,8,13H2,1H3.
What are the key properties of 6-methoxy-4,4-diphenylhex-5-enenitrile?
6-methoxy-4,4-diphenylhex-5-enenitrile has a molecular weight of 277.37 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4,4-diphenylhex-5-enenitrile is sourced from PubChem (CID 54024114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).