1,2-dimethylnaphthalene;ethane

C16H24 — CID 90922397

IUPAC1,2-dimethylnaphthalene;ethane
SMILESCC.CC.Cc1ccc2ccccc2c1C
InChIInChI=1S/C12H12.2C2H6/c1-9-7-8-11-5-3-4-6-12(11)10(9)2;2*1-2/h3-8H,1-2H3;2*1-2H3
InChIKeyVUUWXUICEUAXRE-UHFFFAOYSA-N
MW216.37 g/mol
LogP5.51
Rot. Bonds

About 1,2-dimethylnaphthalene;ethane

1,2-dimethylnaphthalene;ethane (PubChem CID 90922397) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1,2-dimethylnaphthalene;ethane.

Molecular Properties

Compound Name1,2-dimethylnaphthalene;ethane
PubChem CID90922397
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name1,2-dimethylnaphthalene;ethane
SMILESCC.CC.Cc1ccc2ccccc2c1C
InChIInChI=1S/C12H12.2C2H6/c1-9-7-8-11-5-3-4-6-12(11)10(9)2;2*1-2/h3-8H,1-2H3;2*1-2H3
InChIKeyVUUWXUICEUAXRE-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.37
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2-dimethylnaphthalene;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylnaphthalene;ethane?
The IUPAC name of 1,2-dimethylnaphthalene;ethane (CID 90922397) is 1,2-dimethylnaphthalene;ethane.
What is the SMILES notation for 1,2-dimethylnaphthalene;ethane?
The canonical SMILES for 1,2-dimethylnaphthalene;ethane is CC.CC.Cc1ccc2ccccc2c1C.
What is the InChIKey of 1,2-dimethylnaphthalene;ethane?
The InChIKey is VUUWXUICEUAXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12.2C2H6/c1-9-7-8-11-5-3-4-6-12(11)10(9)2;2*1-2/h3-8H,1-2H3;2*1-2H3.
What are the key properties of 1,2-dimethylnaphthalene;ethane?
1,2-dimethylnaphthalene;ethane has a molecular weight of 216.37 g/mol, XLogP of 5.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylnaphthalene;ethane is sourced from PubChem (CID 90922397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).