1-butoxy-6-ethoxynonane

C15H32O2 — CID 90996810

IUPAC1-butoxy-6-ethoxynonane
SMILESCCCCOCCCCCC(CCC)OCC
InChIInChI=1S/C15H32O2/c1-4-7-13-16-14-10-8-9-12-15(11-5-2)17-6-3/h15H,4-14H2,1-3H3
InChIKeyUKFONIAYWALPLP-UHFFFAOYSA-N
MW244.42 g/mol
LogP4.57
Rot. Bonds13

About 1-butoxy-6-ethoxynonane

1-butoxy-6-ethoxynonane (PubChem CID 90996810) has the molecular formula C15H32O2 and a molecular weight of 244.42 g/mol. Its IUPAC name is 1-butoxy-6-ethoxynonane.

Molecular Properties

Compound Name1-butoxy-6-ethoxynonane
PubChem CID90996810
Molecular FormulaC15H32O2
Molecular Weight244.42 g/mol
Exact Mass244.24
IUPAC Name1-butoxy-6-ethoxynonane
SMILESCCCCOCCCCCC(CCC)OCC
InChIInChI=1S/C15H32O2/c1-4-7-13-16-14-10-8-9-12-15(11-5-2)17-6-3/h15H,4-14H2,1-3H3
InChIKeyUKFONIAYWALPLP-UHFFFAOYSA-N
XLogP4.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,6-diethoxydecane
CID 150917298
1,4-diethoxydecane
CID 140997951
9-ethoxyoctadecane
CID 87148376
1,3-didecoxyundecane
CID 142711236
5-ethoxynonane
CID 91187482
4-ethoxydodecane;sulfuric acid
CID 87841741
6-octoxyundecane
CID 20520524
10-decoxyicosane
CID 150196888
1,5-dibutoxy-1-[5-[5-(1,5-dibutoxypentoxy)pentoxy]pentoxy]pentane
CID 175168734
5-butoxy-1-ethoxyheptane
CID 57247506
1-[(2S)-2-octadecoxypentoxy]octadecane
CID 173435478
1-(2-dodecoxydecoxy)dodecane
CID 175347971

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-6-ethoxynonane?
The IUPAC name of 1-butoxy-6-ethoxynonane (CID 90996810) is 1-butoxy-6-ethoxynonane.
What is the SMILES notation for 1-butoxy-6-ethoxynonane?
The canonical SMILES for 1-butoxy-6-ethoxynonane is CCCCOCCCCCC(CCC)OCC.
What is the InChIKey of 1-butoxy-6-ethoxynonane?
The InChIKey is UKFONIAYWALPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2/c1-4-7-13-16-14-10-8-9-12-15(11-5-2)17-6-3/h15H,4-14H2,1-3H3.
What are the key properties of 1-butoxy-6-ethoxynonane?
1-butoxy-6-ethoxynonane has a molecular weight of 244.42 g/mol, XLogP of 4.57, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-6-ethoxynonane is sourced from PubChem (CID 90996810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).