1-(3-ethoxypropoxy)-4-methoxybutane

C10H22O3 — CID 59660847

IUPAC1-(3-ethoxypropoxy)-4-methoxybutane
SMILESCCOCCCOCCCCOC
InChIInChI=1S/C10H22O3/c1-3-12-9-6-10-13-8-5-4-7-11-2/h3-10H2,1-2H3
InChIKeyFFXKIYZBDFVVJR-UHFFFAOYSA-N
MW190.28 g/mol
LogP1.86
Rot. Bonds10

About 1-(3-ethoxypropoxy)-4-methoxybutane

1-(3-ethoxypropoxy)-4-methoxybutane (PubChem CID 59660847) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is 1-(3-ethoxypropoxy)-4-methoxybutane.

Molecular Properties

Compound Name1-(3-ethoxypropoxy)-4-methoxybutane
PubChem CID59660847
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Name1-(3-ethoxypropoxy)-4-methoxybutane
SMILESCCOCCCOCCCCOC
InChIInChI=1S/C10H22O3/c1-3-12-9-6-10-13-8-5-4-7-11-2/h3-10H2,1-2H3
InChIKeyFFXKIYZBDFVVJR-UHFFFAOYSA-N
XLogP1.86
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
1-methoxy-6-(6-methoxyhexoxy)hexane
CID 154493017
1-butoxybutane;1-methoxy-3-(3-methoxypropoxy)propane
CID 174886787
1-butoxy-4-methoxybutane
CID 13082830
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methoxyethane
CID 19982973
1,2-dimethoxyethane;1-ethoxy-2-(2-ethoxyethoxy)ethane
CID 159445382
1-(3-ethoxypropoxy)tetradecane
CID 91693148
1-(2-ethoxyethoxy)-2-methoxyethane;methane
CID 162070739
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
1-[2-(2-butoxyethoxy)ethoxy]butane;1-methoxybutane
CID 174801496
1-methoxy-6-[3-(3-methoxypropoxy)-2,2-bis(3-methoxypropoxymethyl)propoxy]hexane
CID 156683117
1-(3-ethoxypropoxy)-4-methanidyloxybutane;yttrium
CID 59660846

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropoxy)-4-methoxybutane?
The IUPAC name of 1-(3-ethoxypropoxy)-4-methoxybutane (CID 59660847) is 1-(3-ethoxypropoxy)-4-methoxybutane.
What is the SMILES notation for 1-(3-ethoxypropoxy)-4-methoxybutane?
The canonical SMILES for 1-(3-ethoxypropoxy)-4-methoxybutane is CCOCCCOCCCCOC.
What is the InChIKey of 1-(3-ethoxypropoxy)-4-methoxybutane?
The InChIKey is FFXKIYZBDFVVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3/c1-3-12-9-6-10-13-8-5-4-7-11-2/h3-10H2,1-2H3.
What are the key properties of 1-(3-ethoxypropoxy)-4-methoxybutane?
1-(3-ethoxypropoxy)-4-methoxybutane has a molecular weight of 190.28 g/mol, XLogP of 1.86, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropoxy)-4-methoxybutane is sourced from PubChem (CID 59660847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).