ethane;(4-propan-2-ylphenyl)oxidanium;1,4-xylene

C19H29O+ — CID 163240911

IUPACethane;(4-propan-2-ylphenyl)oxidanium;1,4-xylene
SMILESCC.CC(C)c1ccc([OH2+])cc1.Cc1ccc(C)cc1
InChIInChI=1S/C9H12O.C8H10.C2H6/c1-7(2)8-3-5-9(10)6-4-8;1-7-3-5-8(2)6-4-7;1-2/h3-7,10H,1-2H3;3-6H,1-2H3;1-2H3/p+1
InChIKeyIAFVWUPPFZRVJJ-UHFFFAOYSA-O
MW273.44 g/mol
LogP5.58
Rot. Bonds1

About ethane;(4-propan-2-ylphenyl)oxidanium;1,4-xylene

ethane;(4-propan-2-ylphenyl)oxidanium;1,4-xylene (PubChem CID 163240911) has the molecular formula C19H29O+ and a molecular weight of 273.44 g/mol. Its IUPAC name is ethane;(4-propan-2-ylphenyl)oxidanium;1,4-xylene.

Molecular Properties

Compound Nameethane;(4-propan-2-ylphenyl)oxidanium;1,4-xylene
PubChem CID163240911
Molecular FormulaC19H29O+
Molecular Weight273.44 g/mol
Exact Mass273.22
IUPAC Nameethane;(4-propan-2-ylphenyl)oxidanium;1,4-xylene
SMILESCC.CC(C)c1ccc([OH2+])cc1.Cc1ccc(C)cc1
InChIInChI=1S/C9H12O.C8H10.C2H6/c1-7(2)8-3-5-9(10)6-4-8;1-7-3-5-8(2)6-4-7;1-2/h3-7,10H,1-2H3;3-6H,1-2H3;1-2H3/p+1
InChIKeyIAFVWUPPFZRVJJ-UHFFFAOYSA-O
XLogP5.58
TPSA22.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.44
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;(4-propan-2-ylphenyl)oxidanium;1,4-xylene?
The IUPAC name of ethane;(4-propan-2-ylphenyl)oxidanium;1,4-xylene (CID 163240911) is ethane;(4-propan-2-ylphenyl)oxidanium;1,4-xylene.
What is the SMILES notation for ethane;(4-propan-2-ylphenyl)oxidanium;1,4-xylene?
The canonical SMILES for ethane;(4-propan-2-ylphenyl)oxidanium;1,4-xylene is CC.CC(C)c1ccc([OH2+])cc1.Cc1ccc(C)cc1.
What is the InChIKey of ethane;(4-propan-2-ylphenyl)oxidanium;1,4-xylene?
The InChIKey is IAFVWUPPFZRVJJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H12O.C8H10.C2H6/c1-7(2)8-3-5-9(10)6-4-8;1-7-3-5-8(2)6-4-7;1-2/h3-7,10H,1-2H3;3-6H,1-2H3;1-2H3/p+1.
What are the key properties of ethane;(4-propan-2-ylphenyl)oxidanium;1,4-xylene?
ethane;(4-propan-2-ylphenyl)oxidanium;1,4-xylene has a molecular weight of 273.44 g/mol, XLogP of 5.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-propan-2-ylphenyl)oxidanium;1,4-xylene is sourced from PubChem (CID 163240911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).