1-butoxy-4-methoxybutane

C9H20O2 — CID 13082830

IUPAC1-butoxy-4-methoxybutane
SMILESCCCCOCCCCOC
InChIInChI=1S/C9H20O2/c1-3-4-8-11-9-6-5-7-10-2/h3-9H2,1-2H3
InChIKeyFBPKXEFBJHBHJN-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.23
Rot. Bonds8

About 1-butoxy-4-methoxybutane

1-butoxy-4-methoxybutane (PubChem CID 13082830) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-butoxy-4-methoxybutane.

Molecular Properties

Compound Name1-butoxy-4-methoxybutane
PubChem CID13082830
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name1-butoxy-4-methoxybutane
SMILESCCCCOCCCCOC
InChIInChI=1S/C9H20O2/c1-3-4-8-11-9-6-5-7-10-2/h3-9H2,1-2H3
InChIKeyFBPKXEFBJHBHJN-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.23
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-[2-(2-butoxyethoxy)ethoxy]butane;1-methoxybutane
CID 174801496
1-butoxybutane;1-methoxy-3-(3-methoxypropoxy)propane
CID 174886787
1-[2-(2-butoxyethoxy)ethoxy]butane;1-[2-(2-methoxyethoxy)ethoxy]pentane
CID 157339506
1,2-dimethoxyethane;1-hexoxyhexane
CID 174800290
1-methoxy-6-(6-methoxyhexoxy)hexane
CID 154493017
1-butoxybutane;methoxymethane
CID 18401298
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]heptane
CID 44593867
1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151811497
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tetradecane
CID 102000806
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 175220502
1-[2-(2-butoxyethoxy)ethoxy]butane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-methoxyhexane
CID 175360949
1,10-bis(2-butoxyethoxy)decane
CID 90257337

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-methoxybutane?
The IUPAC name of 1-butoxy-4-methoxybutane (CID 13082830) is 1-butoxy-4-methoxybutane.
What is the SMILES notation for 1-butoxy-4-methoxybutane?
The canonical SMILES for 1-butoxy-4-methoxybutane is CCCCOCCCCOC.
What is the InChIKey of 1-butoxy-4-methoxybutane?
The InChIKey is FBPKXEFBJHBHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-3-4-8-11-9-6-5-7-10-2/h3-9H2,1-2H3.
What are the key properties of 1-butoxy-4-methoxybutane?
1-butoxy-4-methoxybutane has a molecular weight of 160.26 g/mol, XLogP of 2.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-methoxybutane is sourced from PubChem (CID 13082830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).