nonane

C9H20 — CID 8141

IUPACnonane
SMILESCCCCCCCCC
InChIInChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3
InChIKeyBKIMMITUMNQMOS-UHFFFAOYSA-N
MW128.26 g/mol
LogP3.76
Rot. Bonds6

About nonane

nonane (PubChem CID 8141) has the molecular formula C9H20 and a molecular weight of 128.26 g/mol. Its IUPAC name is nonane.

Molecular Properties

Compound Namenonane
PubChem CID8141
Molecular FormulaC9H20
Molecular Weight128.26 g/mol
Exact Mass128.16
IUPAC Namenonane
SMILESCCCCCCCCC
InChIInChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3
InChIKeyBKIMMITUMNQMOS-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.26
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of nonane?
The IUPAC name of nonane (CID 8141) is nonane.
What is the SMILES notation for nonane?
The canonical SMILES for nonane is CCCCCCCCC.
What is the InChIKey of nonane?
The InChIKey is BKIMMITUMNQMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3.
What are the key properties of nonane?
nonane has a molecular weight of 128.26 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nonane is sourced from PubChem (CID 8141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).