1-methoxy-6-(6-methoxyhexoxy)hexane

C14H30O3 — CID 154493017

IUPAC1-methoxy-6-(6-methoxyhexoxy)hexane
SMILESCOCCCCCCOCCCCCCOC
InChIInChI=1S/C14H30O3/c1-15-11-7-3-5-9-13-17-14-10-6-4-8-12-16-2/h3-14H2,1-2H3
InChIKeyUTKDAFYFYGBHNU-UHFFFAOYSA-N
MW246.39 g/mol
LogP3.42
Rot. Bonds14

About 1-methoxy-6-(6-methoxyhexoxy)hexane

1-methoxy-6-(6-methoxyhexoxy)hexane (PubChem CID 154493017) has the molecular formula C14H30O3 and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-methoxy-6-(6-methoxyhexoxy)hexane.

Molecular Properties

Compound Name1-methoxy-6-(6-methoxyhexoxy)hexane
PubChem CID154493017
Molecular FormulaC14H30O3
Molecular Weight246.39 g/mol
Exact Mass246.22
IUPAC Name1-methoxy-6-(6-methoxyhexoxy)hexane
SMILESCOCCCCCCOCCCCCCOC
InChIInChI=1S/C14H30O3/c1-15-11-7-3-5-9-13-17-14-10-6-4-8-12-16-2/h3-14H2,1-2H3
InChIKeyUTKDAFYFYGBHNU-UHFFFAOYSA-N
XLogP3.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 53.42
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

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CID 143118909
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CID 58114561
1-butoxy-4-methoxybutane
CID 13082830
1-methoxy-6-[3-(3-methoxypropoxy)-2,2-bis(3-methoxypropoxymethyl)propoxy]hexane
CID 156683117
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CID 174800290
1-(3-ethoxypropoxy)-4-methoxybutane
CID 59660847
9-[2-(3-methoxypropoxy)ethoxy]nonane-1-thiol
CID 103176254
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

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-6-(6-methoxyhexoxy)hexane?
The IUPAC name of 1-methoxy-6-(6-methoxyhexoxy)hexane (CID 154493017) is 1-methoxy-6-(6-methoxyhexoxy)hexane.
What is the SMILES notation for 1-methoxy-6-(6-methoxyhexoxy)hexane?
The canonical SMILES for 1-methoxy-6-(6-methoxyhexoxy)hexane is COCCCCCCOCCCCCCOC.
What is the InChIKey of 1-methoxy-6-(6-methoxyhexoxy)hexane?
The InChIKey is UTKDAFYFYGBHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3/c1-15-11-7-3-5-9-13-17-14-10-6-4-8-12-16-2/h3-14H2,1-2H3.
What are the key properties of 1-methoxy-6-(6-methoxyhexoxy)hexane?
1-methoxy-6-(6-methoxyhexoxy)hexane has a molecular weight of 246.39 g/mol, XLogP of 3.42, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-6-(6-methoxyhexoxy)hexane is sourced from PubChem (CID 154493017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).