1-(2-methylprop-1-enoxy)octadecane

C22H44O — CID 22234836

IUPAC1-(2-methylprop-1-enoxy)octadecane
SMILESCCCCCCCCCCCCCCCCCCOC=C(C)C
InChIInChI=1S/C22H44O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21-22(2)3/h21H,4-20H2,1-3H3
InChIKeyFETJSJQLNGWLDK-UHFFFAOYSA-N
MW324.59 g/mol
LogP8.19
Rot. Bonds18

About 1-(2-methylprop-1-enoxy)octadecane

1-(2-methylprop-1-enoxy)octadecane (PubChem CID 22234836) has the molecular formula C22H44O and a molecular weight of 324.59 g/mol. Its IUPAC name is 1-(2-methylprop-1-enoxy)octadecane.

Molecular Properties

Compound Name1-(2-methylprop-1-enoxy)octadecane
PubChem CID22234836
Molecular FormulaC22H44O
Molecular Weight324.59 g/mol
Exact Mass324.34
IUPAC Name1-(2-methylprop-1-enoxy)octadecane
SMILESCCCCCCCCCCCCCCCCCCOC=C(C)C
InChIInChI=1S/C22H44O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21-22(2)3/h21H,4-20H2,1-3H3
InChIKeyFETJSJQLNGWLDK-UHFFFAOYSA-N
XLogP8.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.59
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-1-enoxy)octadecane?
The IUPAC name of 1-(2-methylprop-1-enoxy)octadecane (CID 22234836) is 1-(2-methylprop-1-enoxy)octadecane.
What is the SMILES notation for 1-(2-methylprop-1-enoxy)octadecane?
The canonical SMILES for 1-(2-methylprop-1-enoxy)octadecane is CCCCCCCCCCCCCCCCCCOC=C(C)C.
What is the InChIKey of 1-(2-methylprop-1-enoxy)octadecane?
The InChIKey is FETJSJQLNGWLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21-22(2)3/h21H,4-20H2,1-3H3.
What are the key properties of 1-(2-methylprop-1-enoxy)octadecane?
1-(2-methylprop-1-enoxy)octadecane has a molecular weight of 324.59 g/mol, XLogP of 8.19, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-1-enoxy)octadecane is sourced from PubChem (CID 22234836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).