1,1-diphenylprop-2-yn-1-ol;ethane;rubidium(1+)

C19H23ORb — CID 157294897

IUPAC1,1-diphenylprop-2-yn-1-ol;ethane;rubidium(1+)
SMILESCC.CC.[C-]#CC(O)(c1ccccc1)c1ccccc1.[Rb+]
InChIInChI=1S/C15H11O.2C2H6.Rb/c1-2-15(16,13-9-5-3-6-10-13)14-11-7-4-8-12-14;2*1-2;/h3-12,16H;2*1-2H3;/q-1;;;+1
InChIKeyZSIGNWQEOGTLLL-UHFFFAOYSA-N
MW352.86 g/mol
LogP1.57
Rot. Bonds2

About 1,1-diphenylprop-2-yn-1-ol;ethane;rubidium(1+)

1,1-diphenylprop-2-yn-1-ol;ethane;rubidium(1+) (PubChem CID 157294897) has the molecular formula C19H23ORb and a molecular weight of 352.86 g/mol. Its IUPAC name is 1,1-diphenylprop-2-yn-1-ol;ethane;rubidium(1+).

Molecular Properties

Compound Name1,1-diphenylprop-2-yn-1-ol;ethane;rubidium(1+)
PubChem CID157294897
Molecular FormulaC19H23ORb
Molecular Weight352.86 g/mol
Exact Mass352.09
IUPAC Name1,1-diphenylprop-2-yn-1-ol;ethane;rubidium(1+)
SMILESCC.CC.[C-]#CC(O)(c1ccccc1)c1ccccc1.[Rb+]
InChIInChI=1S/C15H11O.2C2H6.Rb/c1-2-15(16,13-9-5-3-6-10-13)14-11-7-4-8-12-14;2*1-2;/h3-12,16H;2*1-2H3;/q-1;;;+1
InChIKeyZSIGNWQEOGTLLL-UHFFFAOYSA-N
XLogP1.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-diphenylprop-2-yn-1-ol;ethane;rubidium(1+)?
The IUPAC name of 1,1-diphenylprop-2-yn-1-ol;ethane;rubidium(1+) (CID 157294897) is 1,1-diphenylprop-2-yn-1-ol;ethane;rubidium(1+).
What is the SMILES notation for 1,1-diphenylprop-2-yn-1-ol;ethane;rubidium(1+)?
The canonical SMILES for 1,1-diphenylprop-2-yn-1-ol;ethane;rubidium(1+) is CC.CC.[C-]#CC(O)(c1ccccc1)c1ccccc1.[Rb+].
What is the InChIKey of 1,1-diphenylprop-2-yn-1-ol;ethane;rubidium(1+)?
The InChIKey is ZSIGNWQEOGTLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11O.2C2H6.Rb/c1-2-15(16,13-9-5-3-6-10-13)14-11-7-4-8-12-14;2*1-2;/h3-12,16H;2*1-2H3;/q-1;;;+1.
What are the key properties of 1,1-diphenylprop-2-yn-1-ol;ethane;rubidium(1+)?
1,1-diphenylprop-2-yn-1-ol;ethane;rubidium(1+) has a molecular weight of 352.86 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylprop-2-yn-1-ol;ethane;rubidium(1+) is sourced from PubChem (CID 157294897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).