2-(2-methoxyethoxy)octadecane

C21H44O2 — CID 89276167

IUPAC2-(2-methoxyethoxy)octadecane
SMILESCCCCCCCCCCCCCCCCC(C)OCCOC
InChIInChI=1S/C21H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2)23-20-19-22-3/h21H,4-20H2,1-3H3
InChIKeyOUHRMXOAXDGLFQ-UHFFFAOYSA-N
MW328.58 g/mol
LogP6.91
Rot. Bonds19

About 2-(2-methoxyethoxy)octadecane

2-(2-methoxyethoxy)octadecane (PubChem CID 89276167) has the molecular formula C21H44O2 and a molecular weight of 328.58 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)octadecane.

Molecular Properties

Compound Name2-(2-methoxyethoxy)octadecane
PubChem CID89276167
Molecular FormulaC21H44O2
Molecular Weight328.58 g/mol
Exact Mass328.33
IUPAC Name2-(2-methoxyethoxy)octadecane
SMILESCCCCCCCCCCCCCCCCC(C)OCCOC
InChIInChI=1S/C21H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2)23-20-19-22-3/h21H,4-20H2,1-3H3
InChIKeyOUHRMXOAXDGLFQ-UHFFFAOYSA-N
XLogP6.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.58
LogP ≤ 56.91
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-octan-2-yloxydecane
CID 86220707
1-nonan-2-yloxyoctadecane
CID 88815684
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069
2-(methoxymethoxy)nonane
CID 13203850
1-hexan-2-yloxydecane
CID 57029724
2-(3-methoxy-2-methylpropoxy)undecane
CID 89261106
2-octan-2-yloxyethanamine
CID 43127313
2-(2-chloroethoxy)octane
CID 20788636
2-ethoxytridecane
CID 54143367
2-(2-dodecan-2-yloxyethoxy)ethanol
CID 71420952
2-[2-(2-decan-2-yloxyethoxy)ethoxy]ethanol
CID 87813837

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)octadecane?
The IUPAC name of 2-(2-methoxyethoxy)octadecane (CID 89276167) is 2-(2-methoxyethoxy)octadecane.
What is the SMILES notation for 2-(2-methoxyethoxy)octadecane?
The canonical SMILES for 2-(2-methoxyethoxy)octadecane is CCCCCCCCCCCCCCCCC(C)OCCOC.
What is the InChIKey of 2-(2-methoxyethoxy)octadecane?
The InChIKey is OUHRMXOAXDGLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2)23-20-19-22-3/h21H,4-20H2,1-3H3.
What are the key properties of 2-(2-methoxyethoxy)octadecane?
2-(2-methoxyethoxy)octadecane has a molecular weight of 328.58 g/mol, XLogP of 6.91, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)octadecane is sourced from PubChem (CID 89276167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).