5,5-dimethylnonane;5-methylnonane

C21H46 — CID 158755954

IUPAC5,5-dimethylnonane;5-methylnonane
SMILESCCCCC(C)(C)CCCC.CCCCC(C)CCCC
InChIInChI=1S/C11H24.C10H22/c1-5-7-9-11(3,4)10-8-6-2;1-4-6-8-10(3)9-7-5-2/h5-10H2,1-4H3;10H,4-9H2,1-3H3
InChIKeyIOBSGYLVVWMFJX-UHFFFAOYSA-N
MW298.60 g/mol
LogP8.40
Rot. Bonds12

About 5,5-dimethylnonane;5-methylnonane

5,5-dimethylnonane;5-methylnonane (PubChem CID 158755954) has the molecular formula C21H46 and a molecular weight of 298.60 g/mol. Its IUPAC name is 5,5-dimethylnonane;5-methylnonane.

Molecular Properties

Compound Name5,5-dimethylnonane;5-methylnonane
PubChem CID158755954
Molecular FormulaC21H46
Molecular Weight298.60 g/mol
Exact Mass298.36
IUPAC Name5,5-dimethylnonane;5-methylnonane
SMILESCCCCC(C)(C)CCCC.CCCCC(C)CCCC
InChIInChI=1S/C11H24.C10H22/c1-5-7-9-11(3,4)10-8-6-2;1-4-6-8-10(3)9-7-5-2/h5-10H2,1-4H3;10H,4-9H2,1-3H3
InChIKeyIOBSGYLVVWMFJX-UHFFFAOYSA-N
XLogP8.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.60
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5,5-dimethylnonane;5-methylnonane 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

4,4,7-trimethyldodecane
CID 91411996
2,2,7-trimethylundecane
CID 57491501
3,7,7-trimethyltridecane
CID 123996242
2,5,5-trimethylnonan-1-amine
CID 123431416
3,5,8,8-tetramethyldodecane
CID 123736669
6,6,8-trimethyltridecane
CID 123736183
4,7,7,10-tetramethyltridecane
CID 123261465
3,3,5-trimethylnonane
CID 53424862
4,4,7-trimethylundec-1-ene
CID 143332601
(7S)-5,7-dimethyl-5-propylundecane
CID 175363506
5,15-dimethylpentatriacontane
CID 6430641
5,11-dimethylheptacosane
CID 6430065

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylnonane;5-methylnonane?
The IUPAC name of 5,5-dimethylnonane;5-methylnonane (CID 158755954) is 5,5-dimethylnonane;5-methylnonane.
What is the SMILES notation for 5,5-dimethylnonane;5-methylnonane?
The canonical SMILES for 5,5-dimethylnonane;5-methylnonane is CCCCC(C)(C)CCCC.CCCCC(C)CCCC.
What is the InChIKey of 5,5-dimethylnonane;5-methylnonane?
The InChIKey is IOBSGYLVVWMFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24.C10H22/c1-5-7-9-11(3,4)10-8-6-2;1-4-6-8-10(3)9-7-5-2/h5-10H2,1-4H3;10H,4-9H2,1-3H3.
What are the key properties of 5,5-dimethylnonane;5-methylnonane?
5,5-dimethylnonane;5-methylnonane has a molecular weight of 298.60 g/mol, XLogP of 8.40, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylnonane;5-methylnonane is sourced from PubChem (CID 158755954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).