1-[(E)-but-1-enoxy]decane

C14H28O — CID 10856809

IUPAC1-[(E)-but-1-enoxy]decane
SMILESCC/C=C/OCCCCCCCCCC
InChIInChI=1S/C14H28O/c1-3-5-7-8-9-10-11-12-14-15-13-6-4-2/h6,13H,3-5,7-12,14H2,1-2H3/b13-6+
InChIKeyXBQFHYATUKJENX-AWNIVKPZSA-N
MW212.38 g/mol
LogP5.07
Rot. Bonds11

About 1-[(E)-but-1-enoxy]decane

1-[(E)-but-1-enoxy]decane (PubChem CID 10856809) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-[(E)-but-1-enoxy]decane.

Molecular Properties

Compound Name1-[(E)-but-1-enoxy]decane
PubChem CID10856809
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name1-[(E)-but-1-enoxy]decane
SMILESCC/C=C/OCCCCCCCCCC
InChIInChI=1S/C14H28O/c1-3-5-7-8-9-10-11-12-14-15-13-6-4-2/h6,13H,3-5,7-12,14H2,1-2H3/b13-6+
InChIKeyXBQFHYATUKJENX-AWNIVKPZSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.38
LogP ≤ 55.07
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)-but-1-enoxy]decane?
The IUPAC name of 1-[(E)-but-1-enoxy]decane (CID 10856809) is 1-[(E)-but-1-enoxy]decane.
What is the SMILES notation for 1-[(E)-but-1-enoxy]decane?
The canonical SMILES for 1-[(E)-but-1-enoxy]decane is CC/C=C/OCCCCCCCCCC.
What is the InChIKey of 1-[(E)-but-1-enoxy]decane?
The InChIKey is XBQFHYATUKJENX-AWNIVKPZSA-N. The full InChI is InChI=1S/C14H28O/c1-3-5-7-8-9-10-11-12-14-15-13-6-4-2/h6,13H,3-5,7-12,14H2,1-2H3/b13-6+.
What are the key properties of 1-[(E)-but-1-enoxy]decane?
1-[(E)-but-1-enoxy]decane has a molecular weight of 212.38 g/mol, XLogP of 5.07, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-1-enoxy]decane is sourced from PubChem (CID 10856809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).