5-butoxy-1-methoxyhexane

C11H24O2 — CID 13262441

IUPAC5-butoxy-1-methoxyhexane
SMILESCCCCOC(C)CCCCOC
InChIInChI=1S/C11H24O2/c1-4-5-10-13-11(2)8-6-7-9-12-3/h11H,4-10H2,1-3H3
InChIKeyIVRIVRLBLHSFPF-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.01
Rot. Bonds9

About 5-butoxy-1-methoxyhexane

5-butoxy-1-methoxyhexane (PubChem CID 13262441) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 5-butoxy-1-methoxyhexane.

Molecular Properties

Compound Name5-butoxy-1-methoxyhexane
PubChem CID13262441
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name5-butoxy-1-methoxyhexane
SMILESCCCCOC(C)CCCCOC
InChIInChI=1S/C11H24O2/c1-4-5-10-13-11(2)8-6-7-9-12-3/h11H,4-10H2,1-3H3
InChIKeyIVRIVRLBLHSFPF-UHFFFAOYSA-N
XLogP3.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.01
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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Frequently Asked Questions

What is the IUPAC name of 5-butoxy-1-methoxyhexane?
The IUPAC name of 5-butoxy-1-methoxyhexane (CID 13262441) is 5-butoxy-1-methoxyhexane.
What is the SMILES notation for 5-butoxy-1-methoxyhexane?
The canonical SMILES for 5-butoxy-1-methoxyhexane is CCCCOC(C)CCCCOC.
What is the InChIKey of 5-butoxy-1-methoxyhexane?
The InChIKey is IVRIVRLBLHSFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-4-5-10-13-11(2)8-6-7-9-12-3/h11H,4-10H2,1-3H3.
What are the key properties of 5-butoxy-1-methoxyhexane?
5-butoxy-1-methoxyhexane has a molecular weight of 188.31 g/mol, XLogP of 3.01, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-1-methoxyhexane is sourced from PubChem (CID 13262441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).