5-butoxy-1-ethoxyheptane

C13H28O2 — CID 57247506

IUPAC5-butoxy-1-ethoxyheptane
SMILESCCCCOC(CC)CCCCOCC
InChIInChI=1S/C13H28O2/c1-4-7-12-15-13(5-2)10-8-9-11-14-6-3/h13H,4-12H2,1-3H3
InChIKeyBOGXUOUIFFUFJM-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.79
Rot. Bonds11

About 5-butoxy-1-ethoxyheptane

5-butoxy-1-ethoxyheptane (PubChem CID 57247506) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 5-butoxy-1-ethoxyheptane.

Molecular Properties

Compound Name5-butoxy-1-ethoxyheptane
PubChem CID57247506
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name5-butoxy-1-ethoxyheptane
SMILESCCCCOC(CC)CCCCOCC
InChIInChI=1S/C13H28O2/c1-4-7-12-15-13(5-2)10-8-9-11-14-6-3/h13H,4-12H2,1-3H3
InChIKeyBOGXUOUIFFUFJM-UHFFFAOYSA-N
XLogP3.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.79
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-(4-octoxyhexoxy)nonane
CID 173430678
3,7-didodecoxydodecane
CID 123502949
1,6-diethoxydecane
CID 150917298
1-(2-butoxybutoxy)-17-methyloctadecane
CID 126586639
1-(2-dodecoxydecoxy)dodecane
CID 175347971
1,2-dibutoxyhexane
CID 19805858
3-propoxyheptane
CID 91289422
6-octoxyundecane
CID 20520524
10-decoxyicosane
CID 150196888
1,4-diethoxydecane
CID 140997951
1,3-didecoxyundecane
CID 142711236
1-(2-butoxybutoxy)-17-fluorooctadecane
CID 126586663

Frequently Asked Questions

What is the IUPAC name of 5-butoxy-1-ethoxyheptane?
The IUPAC name of 5-butoxy-1-ethoxyheptane (CID 57247506) is 5-butoxy-1-ethoxyheptane.
What is the SMILES notation for 5-butoxy-1-ethoxyheptane?
The canonical SMILES for 5-butoxy-1-ethoxyheptane is CCCCOC(CC)CCCCOCC.
What is the InChIKey of 5-butoxy-1-ethoxyheptane?
The InChIKey is BOGXUOUIFFUFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-4-7-12-15-13(5-2)10-8-9-11-14-6-3/h13H,4-12H2,1-3H3.
What are the key properties of 5-butoxy-1-ethoxyheptane?
5-butoxy-1-ethoxyheptane has a molecular weight of 216.36 g/mol, XLogP of 3.79, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-1-ethoxyheptane is sourced from PubChem (CID 57247506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).