4,5-diethylnonane

C13H28 — CID 21188862

IUPAC4,5-diethylnonane
SMILESCCCCC(CC)C(CC)CCC
InChIInChI=1S/C13H28/c1-5-9-11-13(8-4)12(7-3)10-6-2/h12-13H,5-11H2,1-4H3
InChIKeyRFIRMFFCBRIWFT-UHFFFAOYSA-N
MW184.37 g/mol
LogP5.03
Rot. Bonds8

About 4,5-diethylnonane

4,5-diethylnonane (PubChem CID 21188862) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 4,5-diethylnonane.

Molecular Properties

Compound Name4,5-diethylnonane
PubChem CID21188862
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name4,5-diethylnonane
SMILESCCCCC(CC)C(CC)CCC
InChIInChI=1S/C13H28/c1-5-9-11-13(8-4)12(7-3)10-6-2/h12-13H,5-11H2,1-4H3
InChIKeyRFIRMFFCBRIWFT-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

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethylnonane?
The IUPAC name of 4,5-diethylnonane (CID 21188862) is 4,5-diethylnonane.
What is the SMILES notation for 4,5-diethylnonane?
The canonical SMILES for 4,5-diethylnonane is CCCCC(CC)C(CC)CCC.
What is the InChIKey of 4,5-diethylnonane?
The InChIKey is RFIRMFFCBRIWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28/c1-5-9-11-13(8-4)12(7-3)10-6-2/h12-13H,5-11H2,1-4H3.
What are the key properties of 4,5-diethylnonane?
4,5-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 4,5-diethylnonane is sourced from PubChem (CID 21188862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).