6-ethyl-2,5-dimethylnonane

C13H28 — CID 54499682

IUPAC6-ethyl-2,5-dimethylnonane
SMILESCCCC(CC)C(C)CCC(C)C
InChIInChI=1S/C13H28/c1-6-8-13(7-2)12(5)10-9-11(3)4/h11-13H,6-10H2,1-5H3
InChIKeyAKXMXSRGNKLZIY-UHFFFAOYSA-N
MW184.37 g/mol
LogP4.89
Rot. Bonds7

About 6-ethyl-2,5-dimethylnonane

6-ethyl-2,5-dimethylnonane (PubChem CID 54499682) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 6-ethyl-2,5-dimethylnonane.

Molecular Properties

Compound Name6-ethyl-2,5-dimethylnonane
PubChem CID54499682
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name6-ethyl-2,5-dimethylnonane
SMILESCCCC(CC)C(C)CCC(C)C
InChIInChI=1S/C13H28/c1-6-8-13(7-2)12(5)10-9-11(3)4/h11-13H,6-10H2,1-5H3
InChIKeyAKXMXSRGNKLZIY-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.37
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7-ethyl-3,6-dimethyldecane
CID 57491785
5,11-diethyl-2,10-dimethyl-7-propyltetradecane;ethane;propane
CID 143978230
4,8-diethyl-5-methylundecane
CID 59928875
4,5-diethyloctane
CID 519254
4-ethyl-3-methylheptan-1-amine
CID 143231179
1-bromo-4-ethyl-5,8-dimethylnonane
CID 89010236
5-ethyl-2,6,7-trimethyldecane
CID 123648141
4-ethyl-2,8-dimethyl-5-propylnonane
CID 143343075
3-ethyl-2-methylhexan-1-amine
CID 91121737
3,4-diethylheptane;ethane
CID 144734225
tris(3,4-diethylheptane);methane
CID 160558798
9-ethyl-3,8-dimethyl-4-propyldodecane
CID 142338103

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,5-dimethylnonane?
The IUPAC name of 6-ethyl-2,5-dimethylnonane (CID 54499682) is 6-ethyl-2,5-dimethylnonane.
What is the SMILES notation for 6-ethyl-2,5-dimethylnonane?
The canonical SMILES for 6-ethyl-2,5-dimethylnonane is CCCC(CC)C(C)CCC(C)C.
What is the InChIKey of 6-ethyl-2,5-dimethylnonane?
The InChIKey is AKXMXSRGNKLZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28/c1-6-8-13(7-2)12(5)10-9-11(3)4/h11-13H,6-10H2,1-5H3.
What are the key properties of 6-ethyl-2,5-dimethylnonane?
6-ethyl-2,5-dimethylnonane has a molecular weight of 184.37 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,5-dimethylnonane is sourced from PubChem (CID 54499682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).