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

C15H30O — CID 22008108

IUPAC1-[(E)-prop-1-enoxy]dodecane
SMILESC/C=C/OCCCCCCCCCCCC
InChIInChI=1S/C15H30O/c1-3-5-6-7-8-9-10-11-12-13-15-16-14-4-2/h4,14H,3,5-13,15H2,1-2H3/b14-4+
InChIKeyISJLSZGNJNJHHO-LNKIKWGQSA-N
MW226.40 g/mol
LogP5.46
Rot. Bonds12

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

1-[(E)-prop-1-enoxy]dodecane (PubChem CID 22008108) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 1-[(E)-prop-1-enoxy]dodecane.

Molecular Properties

Compound Name1-[(E)-prop-1-enoxy]dodecane
PubChem CID22008108
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name1-[(E)-prop-1-enoxy]dodecane
SMILESC/C=C/OCCCCCCCCCCCC
InChIInChI=1S/C15H30O/c1-3-5-6-7-8-9-10-11-12-13-15-16-14-4-2/h4,14H,3,5-13,15H2,1-2H3/b14-4+
InChIKeyISJLSZGNJNJHHO-LNKIKWGQSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.40
LogP ≤ 55.46
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]dodecane?
The IUPAC name of 1-[(E)-prop-1-enoxy]dodecane (CID 22008108) is 1-[(E)-prop-1-enoxy]dodecane.
What is the SMILES notation for 1-[(E)-prop-1-enoxy]dodecane?
The canonical SMILES for 1-[(E)-prop-1-enoxy]dodecane is C/C=C/OCCCCCCCCCCCC.
What is the InChIKey of 1-[(E)-prop-1-enoxy]dodecane?
The InChIKey is ISJLSZGNJNJHHO-LNKIKWGQSA-N. The full InChI is InChI=1S/C15H30O/c1-3-5-6-7-8-9-10-11-12-13-15-16-14-4-2/h4,14H,3,5-13,15H2,1-2H3/b14-4+.
What are the key properties of 1-[(E)-prop-1-enoxy]dodecane?
1-[(E)-prop-1-enoxy]dodecane has a molecular weight of 226.40 g/mol, XLogP of 5.46, 12 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]dodecane is sourced from PubChem (CID 22008108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).