3-ethoxynonane

C11H24O — CID 5320196

IUPAC3-ethoxynonane
SMILESCCCCCCC(CC)OCC
InChIInChI=1S/C11H24O/c1-4-7-8-9-10-11(5-2)12-6-3/h11H,4-10H2,1-3H3
InChIKeyHUKVDGHSQKZLPS-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.77
Rot. Bonds8

About 3-ethoxynonane

3-ethoxynonane (PubChem CID 5320196) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 3-ethoxynonane.

Molecular Properties

Compound Name3-ethoxynonane
PubChem CID5320196
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name3-ethoxynonane
SMILESCCCCCCC(CC)OCC
InChIInChI=1S/C11H24O/c1-4-7-8-9-10-11(5-2)12-6-3/h11H,4-10H2,1-3H3
InChIKeyHUKVDGHSQKZLPS-UHFFFAOYSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-ethoxynonane?
The IUPAC name of 3-ethoxynonane (CID 5320196) is 3-ethoxynonane.
What is the SMILES notation for 3-ethoxynonane?
The canonical SMILES for 3-ethoxynonane is CCCCCCC(CC)OCC.
What is the InChIKey of 3-ethoxynonane?
The InChIKey is HUKVDGHSQKZLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-4-7-8-9-10-11(5-2)12-6-3/h11H,4-10H2,1-3H3.
What are the key properties of 3-ethoxynonane?
3-ethoxynonane has a molecular weight of 172.31 g/mol, XLogP of 3.77, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxynonane is sourced from PubChem (CID 5320196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).