2-[(E)-prop-1-enoxy]decane

C13H26O — CID 23217734

IUPAC2-[(E)-prop-1-enoxy]decane
SMILESC/C=C/OC(C)CCCCCCCC
InChIInChI=1S/C13H26O/c1-4-6-7-8-9-10-11-13(3)14-12-5-2/h5,12-13H,4,6-11H2,1-3H3/b12-5+
InChIKeyDCUMUYZSKLSNRU-LFYBBSHMSA-N
MW198.35 g/mol
LogP4.68
Rot. Bonds9

About 2-[(E)-prop-1-enoxy]decane

2-[(E)-prop-1-enoxy]decane (PubChem CID 23217734) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-[(E)-prop-1-enoxy]decane.

Molecular Properties

Compound Name2-[(E)-prop-1-enoxy]decane
PubChem CID23217734
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name2-[(E)-prop-1-enoxy]decane
SMILESC/C=C/OC(C)CCCCCCCC
InChIInChI=1S/C13H26O/c1-4-6-7-8-9-10-11-13(3)14-12-5-2/h5,12-13H,4,6-11H2,1-3H3/b12-5+
InChIKeyDCUMUYZSKLSNRU-LFYBBSHMSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.68
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 2-[(E)-prop-1-enoxy]decane?
The IUPAC name of 2-[(E)-prop-1-enoxy]decane (CID 23217734) is 2-[(E)-prop-1-enoxy]decane.
What is the SMILES notation for 2-[(E)-prop-1-enoxy]decane?
The canonical SMILES for 2-[(E)-prop-1-enoxy]decane is C/C=C/OC(C)CCCCCCCC.
What is the InChIKey of 2-[(E)-prop-1-enoxy]decane?
The InChIKey is DCUMUYZSKLSNRU-LFYBBSHMSA-N. The full InChI is InChI=1S/C13H26O/c1-4-6-7-8-9-10-11-13(3)14-12-5-2/h5,12-13H,4,6-11H2,1-3H3/b12-5+.
What are the key properties of 2-[(E)-prop-1-enoxy]decane?
2-[(E)-prop-1-enoxy]decane has a molecular weight of 198.35 g/mol, XLogP of 4.68, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-prop-1-enoxy]decane is sourced from PubChem (CID 23217734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).