1-methoxy-8-[3-[5-(2-methoxyethoxy)pentoxy]-2-methylpropoxy]octane

C21H44O5 — CID 129036094

IUPAC1-methoxy-8-[3-[5-(2-methoxyethoxy)pentoxy]-2-methylpropoxy]octane
SMILESCOCCCCCCCCOCC(C)COCCCCCOCCOC
InChIInChI=1S/C21H44O5/c1-21(19-25-15-10-7-5-4-6-9-13-22-2)20-26-16-12-8-11-14-24-18-17-23-3/h21H,4-20H2,1-3H3
InChIKeyZBOVFNKELFQGDN-UHFFFAOYSA-N
MW376.58 g/mol
LogP4.48
Rot. Bonds22

About 1-methoxy-8-[3-[5-(2-methoxyethoxy)pentoxy]-2-methylpropoxy]octane

1-methoxy-8-[3-[5-(2-methoxyethoxy)pentoxy]-2-methylpropoxy]octane (PubChem CID 129036094) has the molecular formula C21H44O5 and a molecular weight of 376.58 g/mol. Its IUPAC name is 1-methoxy-8-[3-[5-(2-methoxyethoxy)pentoxy]-2-methylpropoxy]octane.

Molecular Properties

Compound Name1-methoxy-8-[3-[5-(2-methoxyethoxy)pentoxy]-2-methylpropoxy]octane
PubChem CID129036094
Molecular FormulaC21H44O5
Molecular Weight376.58 g/mol
Exact Mass376.32
IUPAC Name1-methoxy-8-[3-[5-(2-methoxyethoxy)pentoxy]-2-methylpropoxy]octane
SMILESCOCCCCCCCCOCC(C)COCCCCCOCCOC
InChIInChI=1S/C21H44O5/c1-21(19-25-15-10-7-5-4-6-9-13-22-2)20-26-16-12-8-11-14-24-18-17-23-3/h21H,4-20H2,1-3H3
InChIKeyZBOVFNKELFQGDN-UHFFFAOYSA-N
XLogP4.48
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds22
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.58
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,8-bis(2-methoxyethoxy)octane
CID 143118909
1-methoxy-6-(6-methoxyhexoxy)hexane
CID 154493017
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
1-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane
CID 104561148
(2S)-1-[2-(3-methoxypropoxy)ethoxy]propan-2-ol
CID 103179631
(2S)-1-butoxy-3-methoxy-2-methylpropane
CID 90383590
3-[3-(2-methoxyethoxy)propoxy]-2-methylpropane-1-sulfonamide
CID 103407365
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-(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
1,11-dimethoxy-2-methylundecane
CID 118982395
1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151811497

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-8-[3-[5-(2-methoxyethoxy)pentoxy]-2-methylpropoxy]octane?
The IUPAC name of 1-methoxy-8-[3-[5-(2-methoxyethoxy)pentoxy]-2-methylpropoxy]octane (CID 129036094) is 1-methoxy-8-[3-[5-(2-methoxyethoxy)pentoxy]-2-methylpropoxy]octane.
What is the SMILES notation for 1-methoxy-8-[3-[5-(2-methoxyethoxy)pentoxy]-2-methylpropoxy]octane?
The canonical SMILES for 1-methoxy-8-[3-[5-(2-methoxyethoxy)pentoxy]-2-methylpropoxy]octane is COCCCCCCCCOCC(C)COCCCCCOCCOC.
What is the InChIKey of 1-methoxy-8-[3-[5-(2-methoxyethoxy)pentoxy]-2-methylpropoxy]octane?
The InChIKey is ZBOVFNKELFQGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O5/c1-21(19-25-15-10-7-5-4-6-9-13-22-2)20-26-16-12-8-11-14-24-18-17-23-3/h21H,4-20H2,1-3H3.
What are the key properties of 1-methoxy-8-[3-[5-(2-methoxyethoxy)pentoxy]-2-methylpropoxy]octane?
1-methoxy-8-[3-[5-(2-methoxyethoxy)pentoxy]-2-methylpropoxy]octane has a molecular weight of 376.58 g/mol, XLogP of 4.48, 22 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-8-[3-[5-(2-methoxyethoxy)pentoxy]-2-methylpropoxy]octane is sourced from PubChem (CID 129036094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).