1,2-dimethylcycloicosane

C22H44 — CID 123296856

IUPAC1,2-dimethylcycloicosane
SMILESCC1CCCCCCCCCCCCCCCCCCC1C
InChIInChI=1S/C22H44/c1-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22(21)2/h21-22H,3-20H2,1-2H3
InChIKeyJIMFOZLQLKJIOS-UHFFFAOYSA-N
MW308.59 g/mol
LogP8.29
Rot. Bonds

About 1,2-dimethylcycloicosane

1,2-dimethylcycloicosane (PubChem CID 123296856) has the molecular formula C22H44 and a molecular weight of 308.59 g/mol. Its IUPAC name is 1,2-dimethylcycloicosane.

Molecular Properties

Compound Name1,2-dimethylcycloicosane
PubChem CID123296856
Molecular FormulaC22H44
Molecular Weight308.59 g/mol
Exact Mass308.34
IUPAC Name1,2-dimethylcycloicosane
SMILESCC1CCCCCCCCCCCCCCCCCCC1C
InChIInChI=1S/C22H44/c1-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22(21)2/h21-22H,3-20H2,1-2H3
InChIKeyJIMFOZLQLKJIOS-UHFFFAOYSA-N
XLogP8.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.59
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2-dimethylcycloicosane with MolForge

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

Launch Full Analysis

Related Compounds

1,2-dimethylcyclononadecane
CID 123549851
1,2-dimethylcyclohexane;vanadium
CID 142004480
cis-(1R,2S)-1,2-dimethylcyclohexane;methanamine
CID 142167756
1,2-dimethylcyclohexane;2-methylpropane
CID 143562785
1,2-dimethylcyclohexane;methane;molecular iodine
CID 159309824
ethane;trans-(1R,2R)-1,2-dimethylcyclopentane
CID 91129712
1,2-dimethylcyclohexane;ethane;propane
CID 142115318
1,2,3-trimethylcycloheptane
CID 54005509
bis(1,2-dimethylcyclohexane);ethane;2,3,5,6-tetramethylbicyclo[2.2.2]octane
CID 160659985
2-methylcyclododecan-1-ol
CID 13130078
cis-(1R,2S)-1,2-dimethylcyclohexane;heptane
CID 142453951
ethene;2-methylcyclohexan-1-amine
CID 142086710

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylcycloicosane?
The IUPAC name of 1,2-dimethylcycloicosane (CID 123296856) is 1,2-dimethylcycloicosane.
What is the SMILES notation for 1,2-dimethylcycloicosane?
The canonical SMILES for 1,2-dimethylcycloicosane is CC1CCCCCCCCCCCCCCCCCCC1C.
What is the InChIKey of 1,2-dimethylcycloicosane?
The InChIKey is JIMFOZLQLKJIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44/c1-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22(21)2/h21-22H,3-20H2,1-2H3.
What are the key properties of 1,2-dimethylcycloicosane?
1,2-dimethylcycloicosane has a molecular weight of 308.59 g/mol, XLogP of 8.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylcycloicosane is sourced from PubChem (CID 123296856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).