3,7-diethylnonane

C13H28 — CID 22089120

IUPAC3,7-diethylnonane
SMILESCCC(CC)CCCC(CC)CC
InChIInChI=1S/C13H28/c1-5-12(6-2)10-9-11-13(7-3)8-4/h12-13H,5-11H2,1-4H3
InChIKeyZRKIXCLRECEFEX-UHFFFAOYSA-N
MW184.37 g/mol
LogP5.03
Rot. Bonds8

About 3,7-diethylnonane

3,7-diethylnonane (PubChem CID 22089120) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 3,7-diethylnonane.

Molecular Properties

Compound Name3,7-diethylnonane
PubChem CID22089120
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name3,7-diethylnonane
SMILESCCC(CC)CCCC(CC)CC
InChIInChI=1S/C13H28/c1-5-12(6-2)10-9-11-13(7-3)8-4/h12-13H,5-11H2,1-4H3
InChIKeyZRKIXCLRECEFEX-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500184.37
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-ethyl-7-methylnonane
CID 526426
5-ethylheptane-1-thiol
CID 141457634
3,6-diethyloctane
CID 526424
(7R,11R,15R,19R,23R,27S)-3-ethyl-7,11,15,19,23,27-hexamethylnonacosane
CID 90874427
3-ethylicosane
CID 528487
3-ethyloctane;propane
CID 143682929
3-ethylpentacosane
CID 22224239
3,4,5,9-tetraethylundecane
CID 123539086
6-ethyl-2-methyloctan-1-amine
CID 169188535
ethane;3-ethylundecane
CID 144815521
3-ethyl-8-methyldecane
CID 57490930
3,6-diethylundecane
CID 22051817

Frequently Asked Questions

What is the IUPAC name of 3,7-diethylnonane?
The IUPAC name of 3,7-diethylnonane (CID 22089120) is 3,7-diethylnonane.
What is the SMILES notation for 3,7-diethylnonane?
The canonical SMILES for 3,7-diethylnonane is CCC(CC)CCCC(CC)CC.
What is the InChIKey of 3,7-diethylnonane?
The InChIKey is ZRKIXCLRECEFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28/c1-5-12(6-2)10-9-11-13(7-3)8-4/h12-13H,5-11H2,1-4H3.
What are the key properties of 3,7-diethylnonane?
3,7-diethylnonane has a molecular weight of 184.37 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diethylnonane is sourced from PubChem (CID 22089120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).