1-prop-1-en-2-yloxyoctadecane

C21H42O — CID 22407739

IUPAC1-prop-1-en-2-yloxyoctadecane
SMILESC=C(C)OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C21H42O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21(2)3/h2,4-20H2,1,3H3
InChIKeyLFYTYTCSWRUXKW-UHFFFAOYSA-N
MW310.57 g/mol
LogP7.80
Rot. Bonds18

About 1-prop-1-en-2-yloxyoctadecane

1-prop-1-en-2-yloxyoctadecane (PubChem CID 22407739) has the molecular formula C21H42O and a molecular weight of 310.57 g/mol. Its IUPAC name is 1-prop-1-en-2-yloxyoctadecane.

Molecular Properties

Compound Name1-prop-1-en-2-yloxyoctadecane
PubChem CID22407739
Molecular FormulaC21H42O
Molecular Weight310.57 g/mol
Exact Mass310.32
IUPAC Name1-prop-1-en-2-yloxyoctadecane
SMILESC=C(C)OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C21H42O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21(2)3/h2,4-20H2,1,3H3
InChIKeyLFYTYTCSWRUXKW-UHFFFAOYSA-N
XLogP7.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.57
LogP ≤ 57.80
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-prop-1-en-2-yloxyoctadecane?
The IUPAC name of 1-prop-1-en-2-yloxyoctadecane (CID 22407739) is 1-prop-1-en-2-yloxyoctadecane.
What is the SMILES notation for 1-prop-1-en-2-yloxyoctadecane?
The canonical SMILES for 1-prop-1-en-2-yloxyoctadecane is C=C(C)OCCCCCCCCCCCCCCCCCC.
What is the InChIKey of 1-prop-1-en-2-yloxyoctadecane?
The InChIKey is LFYTYTCSWRUXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21(2)3/h2,4-20H2,1,3H3.
What are the key properties of 1-prop-1-en-2-yloxyoctadecane?
1-prop-1-en-2-yloxyoctadecane has a molecular weight of 310.57 g/mol, XLogP of 7.80, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-yloxyoctadecane is sourced from PubChem (CID 22407739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).