1-[(E)-prop-1-enoxy]hexadecane

C19H38O — CID 20501241

IUPAC1-[(E)-prop-1-enoxy]hexadecane
SMILESC/C=C/OCCCCCCCCCCCCCCCC
InChIInChI=1S/C19H38O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20-18-4-2/h4,18H,3,5-17,19H2,1-2H3/b18-4+
InChIKeyRVQNNXZOTSGALW-JJPRUIFNSA-N
MW282.51 g/mol
LogP7.02
Rot. Bonds16

About 1-[(E)-prop-1-enoxy]hexadecane

1-[(E)-prop-1-enoxy]hexadecane (PubChem CID 20501241) has the molecular formula C19H38O and a molecular weight of 282.51 g/mol. Its IUPAC name is 1-[(E)-prop-1-enoxy]hexadecane.

Molecular Properties

Compound Name1-[(E)-prop-1-enoxy]hexadecane
PubChem CID20501241
Molecular FormulaC19H38O
Molecular Weight282.51 g/mol
Exact Mass282.29
IUPAC Name1-[(E)-prop-1-enoxy]hexadecane
SMILESC/C=C/OCCCCCCCCCCCCCCCC
InChIInChI=1S/C19H38O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20-18-4-2/h4,18H,3,5-17,19H2,1-2H3/b18-4+
InChIKeyRVQNNXZOTSGALW-JJPRUIFNSA-N
XLogP7.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.51
LogP ≤ 57.02
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-[(E)-prop-1-enoxy]hexadecane?
The IUPAC name of 1-[(E)-prop-1-enoxy]hexadecane (CID 20501241) is 1-[(E)-prop-1-enoxy]hexadecane.
What is the SMILES notation for 1-[(E)-prop-1-enoxy]hexadecane?
The canonical SMILES for 1-[(E)-prop-1-enoxy]hexadecane is C/C=C/OCCCCCCCCCCCCCCCC.
What is the InChIKey of 1-[(E)-prop-1-enoxy]hexadecane?
The InChIKey is RVQNNXZOTSGALW-JJPRUIFNSA-N. The full InChI is InChI=1S/C19H38O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20-18-4-2/h4,18H,3,5-17,19H2,1-2H3/b18-4+.
What are the key properties of 1-[(E)-prop-1-enoxy]hexadecane?
1-[(E)-prop-1-enoxy]hexadecane has a molecular weight of 282.51 g/mol, XLogP of 7.02, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-prop-1-enoxy]hexadecane is sourced from PubChem (CID 20501241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).