1-ethoxynonane

C11H24O — CID 12714344

IUPAC1-ethoxynonane
SMILESCCCCCCCCCOCC
InChIInChI=1S/C11H24O/c1-3-5-6-7-8-9-10-11-12-4-2/h3-11H2,1-2H3
InChIKeyBCHGIXRCMJWXGE-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.77
Rot. Bonds9

About 1-ethoxynonane

1-ethoxynonane (PubChem CID 12714344) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 1-ethoxynonane.

Molecular Properties

Compound Name1-ethoxynonane
PubChem CID12714344
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name1-ethoxynonane
SMILESCCCCCCCCCOCC
InChIInChI=1S/C11H24O/c1-3-5-6-7-8-9-10-11-12-4-2/h3-11H2,1-2H3
InChIKeyBCHGIXRCMJWXGE-UHFFFAOYSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
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 1-ethoxynonane?
The IUPAC name of 1-ethoxynonane (CID 12714344) is 1-ethoxynonane.
What is the SMILES notation for 1-ethoxynonane?
The canonical SMILES for 1-ethoxynonane is CCCCCCCCCOCC.
What is the InChIKey of 1-ethoxynonane?
The InChIKey is BCHGIXRCMJWXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-3-5-6-7-8-9-10-11-12-4-2/h3-11H2,1-2H3.
What are the key properties of 1-ethoxynonane?
1-ethoxynonane has a molecular weight of 172.31 g/mol, XLogP of 3.77, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxynonane is sourced from PubChem (CID 12714344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).