1-(2-ethoxypropoxy)octadecane

C23H48O2 — CID 56619642

IUPAC1-(2-ethoxypropoxy)octadecane
SMILESCCCCCCCCCCCCCCCCCCOCC(C)OCC
InChIInChI=1S/C23H48O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-22-23(3)25-5-2/h23H,4-22H2,1-3H3
InChIKeyHKWBZBCKXXBAQY-UHFFFAOYSA-N
MW356.64 g/mol
LogP7.69
Rot. Bonds21

About 1-(2-ethoxypropoxy)octadecane

1-(2-ethoxypropoxy)octadecane (PubChem CID 56619642) has the molecular formula C23H48O2 and a molecular weight of 356.64 g/mol. Its IUPAC name is 1-(2-ethoxypropoxy)octadecane.

Molecular Properties

Compound Name1-(2-ethoxypropoxy)octadecane
PubChem CID56619642
Molecular FormulaC23H48O2
Molecular Weight356.64 g/mol
Exact Mass356.37
IUPAC Name1-(2-ethoxypropoxy)octadecane
SMILESCCCCCCCCCCCCCCCCCCOCC(C)OCC
InChIInChI=1S/C23H48O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-22-23(3)25-5-2/h23H,4-22H2,1-3H3
InChIKeyHKWBZBCKXXBAQY-UHFFFAOYSA-N
XLogP7.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.64
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-ethoxypropoxy)octadecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Dodecyl glycidyl ether
CID 17163
9,10-Epoxyoctadecane
CID 4621500
PPG-3 myristyl ether
CID 19370005
Propylene glycol 2-myristyl ether acetate
CID 57483200
Oxirane, 2-((tetradecyloxy)methyl)-
CID 38190
Cetyl glycidyl ether
CID 61823
Glycidyl n-octyl ether
CID 92955
Cyclododecane, (2-methoxyethoxy)-
CID 174103
Cyclododecane, (2-methylpropoxy)-
CID 76333
((Nonyloxy)methyl)oxirane
CID 99953
1-(2-Butoxyethoxy)dodecane
CID 20444625
Poly(oxy-1,2-ethanediyl), alpha-butyl-omega-(octyloxy)-
CID 73555396

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxypropoxy)octadecane?
The IUPAC name of 1-(2-ethoxypropoxy)octadecane (CID 56619642) is 1-(2-ethoxypropoxy)octadecane.
What is the SMILES notation for 1-(2-ethoxypropoxy)octadecane?
The canonical SMILES for 1-(2-ethoxypropoxy)octadecane is CCCCCCCCCCCCCCCCCCOCC(C)OCC.
What is the InChIKey of 1-(2-ethoxypropoxy)octadecane?
The InChIKey is HKWBZBCKXXBAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-22-23(3)25-5-2/h23H,4-22H2,1-3H3.
What are the key properties of 1-(2-ethoxypropoxy)octadecane?
1-(2-ethoxypropoxy)octadecane has a molecular weight of 356.64 g/mol, XLogP of 7.69, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxypropoxy)octadecane is sourced from PubChem (CID 56619642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).