carbanide;ethane;2,4,6-trimethylpyrylium

C11H20O — CID 159811376

IUPACcarbanide;ethane;2,4,6-trimethylpyrylium
SMILESCC.Cc1cc(C)[o+]c(C)c1.[CH3-]
InChIInChI=1S/C8H11O.C2H6.CH3/c1-6-4-7(2)9-8(3)5-6;1-2;/h4-5H,1-3H3;1-2H3;1H3/q+1;;-1
InChIKeyNLBKIXADXSBBOP-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.96
Rot. Bonds

About carbanide;ethane;2,4,6-trimethylpyrylium

carbanide;ethane;2,4,6-trimethylpyrylium (PubChem CID 159811376) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is carbanide;ethane;2,4,6-trimethylpyrylium.

Molecular Properties

Compound Namecarbanide;ethane;2,4,6-trimethylpyrylium
PubChem CID159811376
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Namecarbanide;ethane;2,4,6-trimethylpyrylium
SMILESCC.Cc1cc(C)[o+]c(C)c1.[CH3-]
InChIInChI=1S/C8H11O.C2H6.CH3/c1-6-4-7(2)9-8(3)5-6;1-2;/h4-5H,1-3H3;1-2H3;1H3/q+1;;-1
InChIKeyNLBKIXADXSBBOP-UHFFFAOYSA-N
XLogP3.96
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;2,4,6-trimethylpyrylium?
The IUPAC name of carbanide;ethane;2,4,6-trimethylpyrylium (CID 159811376) is carbanide;ethane;2,4,6-trimethylpyrylium.
What is the SMILES notation for carbanide;ethane;2,4,6-trimethylpyrylium?
The canonical SMILES for carbanide;ethane;2,4,6-trimethylpyrylium is CC.Cc1cc(C)[o+]c(C)c1.[CH3-].
What is the InChIKey of carbanide;ethane;2,4,6-trimethylpyrylium?
The InChIKey is NLBKIXADXSBBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O.C2H6.CH3/c1-6-4-7(2)9-8(3)5-6;1-2;/h4-5H,1-3H3;1-2H3;1H3/q+1;;-1.
What are the key properties of carbanide;ethane;2,4,6-trimethylpyrylium?
carbanide;ethane;2,4,6-trimethylpyrylium has a molecular weight of 168.28 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;2,4,6-trimethylpyrylium is sourced from PubChem (CID 159811376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).