1,2-dimethylcyclononadecane

C21H42 — CID 123549851

IUPAC1,2-dimethylcyclononadecane
SMILESCC1CCCCCCCCCCCCCCCCCC1C
InChIInChI=1S/C21H42/c1-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21(20)2/h20-21H,3-19H2,1-2H3
InChIKeyXMSRGFOOVBDZAO-UHFFFAOYSA-N
MW294.57 g/mol
LogP7.90
Rot. Bonds

About 1,2-dimethylcyclononadecane

1,2-dimethylcyclononadecane (PubChem CID 123549851) has the molecular formula C21H42 and a molecular weight of 294.57 g/mol. Its IUPAC name is 1,2-dimethylcyclononadecane.

Molecular Properties

Compound Name1,2-dimethylcyclononadecane
PubChem CID123549851
Molecular FormulaC21H42
Molecular Weight294.57 g/mol
Exact Mass294.33
IUPAC Name1,2-dimethylcyclononadecane
SMILESCC1CCCCCCCCCCCCCCCCCC1C
InChIInChI=1S/C21H42/c1-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21(20)2/h20-21H,3-19H2,1-2H3
InChIKeyXMSRGFOOVBDZAO-UHFFFAOYSA-N
XLogP7.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.57
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dimethylcycloicosane
CID 123296856
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-dimethylcyclononadecane?
The IUPAC name of 1,2-dimethylcyclononadecane (CID 123549851) is 1,2-dimethylcyclononadecane.
What is the SMILES notation for 1,2-dimethylcyclononadecane?
The canonical SMILES for 1,2-dimethylcyclononadecane is CC1CCCCCCCCCCCCCCCCCC1C.
What is the InChIKey of 1,2-dimethylcyclononadecane?
The InChIKey is XMSRGFOOVBDZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42/c1-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21(20)2/h20-21H,3-19H2,1-2H3.
What are the key properties of 1,2-dimethylcyclononadecane?
1,2-dimethylcyclononadecane has a molecular weight of 294.57 g/mol, XLogP of 7.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylcyclononadecane is sourced from PubChem (CID 123549851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).