1-butoxybutane;1-methoxy-3-(3-methoxypropoxy)propane

C16H36O4 — CID 174886787

IUPAC1-butoxybutane;1-methoxy-3-(3-methoxypropoxy)propane
SMILESCCCCOCCCC.COCCCOCCCOC
InChIInChI=1S/C8H18O3.C8H18O/c1-9-5-3-7-11-8-4-6-10-2;1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3;3-8H2,1-2H3
InChIKeyBNSNIAHCVVDZJY-UHFFFAOYSA-N
MW292.46 g/mol
LogP3.68
Rot. Bonds14

About 1-butoxybutane;1-methoxy-3-(3-methoxypropoxy)propane

1-butoxybutane;1-methoxy-3-(3-methoxypropoxy)propane (PubChem CID 174886787) has the molecular formula C16H36O4 and a molecular weight of 292.46 g/mol. Its IUPAC name is 1-butoxybutane;1-methoxy-3-(3-methoxypropoxy)propane.

Molecular Properties

Compound Name1-butoxybutane;1-methoxy-3-(3-methoxypropoxy)propane
PubChem CID174886787
Molecular FormulaC16H36O4
Molecular Weight292.46 g/mol
Exact Mass292.26
IUPAC Name1-butoxybutane;1-methoxy-3-(3-methoxypropoxy)propane
SMILESCCCCOCCCC.COCCCOCCCOC
InChIInChI=1S/C8H18O3.C8H18O/c1-9-5-3-7-11-8-4-6-10-2;1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3;3-8H2,1-2H3
InChIKeyBNSNIAHCVVDZJY-UHFFFAOYSA-N
XLogP3.68
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-butoxy-4-methoxybutane
CID 13082830
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
1-butoxybutane;methoxymethane
CID 18401298
1-[2-(2-butoxyethoxy)ethoxy]butane;1-[2-(2-methoxyethoxy)ethoxy]pentane
CID 157339506
magnesium;1-methoxybutane;diiodide
CID 175076057
1,2-dimethoxyethane;1-hexoxyhexane
CID 174800290
1-(3-ethoxypropoxy)-4-methoxybutane
CID 59660847
1-butoxybutane;1,2-dimethoxyethane;2-(2-hydroxyethoxy)ethanol
CID 87464396
1-methoxybutane;N-methylmethanamine
CID 144512984
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]heptane
CID 44593867
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tetradecane
CID 102000806

Frequently Asked Questions

What is the IUPAC name of 1-butoxybutane;1-methoxy-3-(3-methoxypropoxy)propane?
The IUPAC name of 1-butoxybutane;1-methoxy-3-(3-methoxypropoxy)propane (CID 174886787) is 1-butoxybutane;1-methoxy-3-(3-methoxypropoxy)propane.
What is the SMILES notation for 1-butoxybutane;1-methoxy-3-(3-methoxypropoxy)propane?
The canonical SMILES for 1-butoxybutane;1-methoxy-3-(3-methoxypropoxy)propane is CCCCOCCCC.COCCCOCCCOC.
What is the InChIKey of 1-butoxybutane;1-methoxy-3-(3-methoxypropoxy)propane?
The InChIKey is BNSNIAHCVVDZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3.C8H18O/c1-9-5-3-7-11-8-4-6-10-2;1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3;3-8H2,1-2H3.
What are the key properties of 1-butoxybutane;1-methoxy-3-(3-methoxypropoxy)propane?
1-butoxybutane;1-methoxy-3-(3-methoxypropoxy)propane has a molecular weight of 292.46 g/mol, XLogP of 3.68, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxybutane;1-methoxy-3-(3-methoxypropoxy)propane is sourced from PubChem (CID 174886787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).