5,5-dibutylnonane

C17H36 — CID 521916

IUPAC5,5-dibutylnonane
SMILESCCCCC(CCCC)(CCCC)CCCC
InChIInChI=1S/C17H36/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3
InChIKeyWAEWWNSCMZXJML-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.73
Rot. Bonds12

About 5,5-dibutylnonane

5,5-dibutylnonane (PubChem CID 521916) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is 5,5-dibutylnonane.

Molecular Properties

Compound Name5,5-dibutylnonane
PubChem CID521916
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name5,5-dibutylnonane
SMILESCCCCC(CCCC)(CCCC)CCCC
InChIInChI=1S/C17H36/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3
InChIKeyWAEWWNSCMZXJML-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.47
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,5-dibutylnonane?
The IUPAC name of 5,5-dibutylnonane (CID 521916) is 5,5-dibutylnonane.
What is the SMILES notation for 5,5-dibutylnonane?
The canonical SMILES for 5,5-dibutylnonane is CCCCC(CCCC)(CCCC)CCCC.
What is the InChIKey of 5,5-dibutylnonane?
The InChIKey is WAEWWNSCMZXJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3.
What are the key properties of 5,5-dibutylnonane?
5,5-dibutylnonane has a molecular weight of 240.47 g/mol, XLogP of 6.73, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dibutylnonane is sourced from PubChem (CID 521916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).