2,2-dimethyl-1,3-dihydrophenalen-3-ylium

C15H15+ — CID 146033419

IUPAC2,2-dimethyl-1,3-dihydrophenalen-3-ylium
SMILESCC1(C)[CH+]c2cccc3cccc(c23)C1
InChIInChI=1S/C15H15/c1-15(2)9-12-7-3-5-11-6-4-8-13(10-15)14(11)12/h3-9H,10H2,1-2H3/q+1
InChIKeyJJOAWQGMUSOLRD-UHFFFAOYSA-N
MW195.29 g/mol
LogP3.97
Rot. Bonds

About 2,2-dimethyl-1,3-dihydrophenalen-3-ylium

2,2-dimethyl-1,3-dihydrophenalen-3-ylium (PubChem CID 146033419) has the molecular formula C15H15+ and a molecular weight of 195.29 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-dihydrophenalen-3-ylium.

Molecular Properties

Compound Name2,2-dimethyl-1,3-dihydrophenalen-3-ylium
PubChem CID146033419
Molecular FormulaC15H15+
Molecular Weight195.29 g/mol
Exact Mass195.12
IUPAC Name2,2-dimethyl-1,3-dihydrophenalen-3-ylium
SMILESCC1(C)[CH+]c2cccc3cccc(c23)C1
InChIInChI=1S/C15H15/c1-15(2)9-12-7-3-5-11-6-4-8-13(10-15)14(11)12/h3-9H,10H2,1-2H3/q+1
InChIKeyJJOAWQGMUSOLRD-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-1,3-dihydrophenalene
CID 174423090
2-methylidene-1,3-dihydrophenalen-3-ylium
CID 136803869
1-(1-methyl-2H-acenaphthylen-1-yl)ethanone
CID 11310341
(Z)-but-2-ene;2,2-dimethyl-1H-acenaphthylene;ethane;ethene;methane
CID 144920508
1,2-dihydroacenaphthylene
CID 161018660
11,11-dimethyl-13-methylidene-10-azatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene
CID 134385979
pyrene;zirconium
CID 175873743
pyrene;dihydrobromide
CID 172822251
3-methyl-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
CID 177264468
ethyl 2-amino-1,3-dihydrophenalene-2-carboxylate
CID 10634763
azane;propane;pyrene
CID 87370632
13,13-dimethyl-2-azatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene
CID 135201650

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-dihydrophenalen-3-ylium?
The IUPAC name of 2,2-dimethyl-1,3-dihydrophenalen-3-ylium (CID 146033419) is 2,2-dimethyl-1,3-dihydrophenalen-3-ylium.
What is the SMILES notation for 2,2-dimethyl-1,3-dihydrophenalen-3-ylium?
The canonical SMILES for 2,2-dimethyl-1,3-dihydrophenalen-3-ylium is CC1(C)[CH+]c2cccc3cccc(c23)C1.
What is the InChIKey of 2,2-dimethyl-1,3-dihydrophenalen-3-ylium?
The InChIKey is JJOAWQGMUSOLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15/c1-15(2)9-12-7-3-5-11-6-4-8-13(10-15)14(11)12/h3-9H,10H2,1-2H3/q+1.
What are the key properties of 2,2-dimethyl-1,3-dihydrophenalen-3-ylium?
2,2-dimethyl-1,3-dihydrophenalen-3-ylium has a molecular weight of 195.29 g/mol, XLogP of 3.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-dihydrophenalen-3-ylium is sourced from PubChem (CID 146033419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).