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

C10H20O — CID 14637790

IUPAC1-[(E)-prop-1-enoxy]heptane
SMILESC/C=C/OCCCCCCC
InChIInChI=1S/C10H20O/c1-3-5-6-7-8-10-11-9-4-2/h4,9H,3,5-8,10H2,1-2H3/b9-4+
InChIKeyAJYYYZRDDYWMCR-RUDMXATFSA-N
MW156.27 g/mol
LogP3.51
Rot. Bonds7

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

1-[(E)-prop-1-enoxy]heptane (PubChem CID 14637790) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-[(E)-prop-1-enoxy]heptane.

Molecular Properties

Compound Name1-[(E)-prop-1-enoxy]heptane
PubChem CID14637790
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name1-[(E)-prop-1-enoxy]heptane
SMILESC/C=C/OCCCCCCC
InChIInChI=1S/C10H20O/c1-3-5-6-7-8-10-11-9-4-2/h4,9H,3,5-8,10H2,1-2H3/b9-4+
InChIKeyAJYYYZRDDYWMCR-RUDMXATFSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.51
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]heptane?
The IUPAC name of 1-[(E)-prop-1-enoxy]heptane (CID 14637790) is 1-[(E)-prop-1-enoxy]heptane.
What is the SMILES notation for 1-[(E)-prop-1-enoxy]heptane?
The canonical SMILES for 1-[(E)-prop-1-enoxy]heptane is C/C=C/OCCCCCCC.
What is the InChIKey of 1-[(E)-prop-1-enoxy]heptane?
The InChIKey is AJYYYZRDDYWMCR-RUDMXATFSA-N. The full InChI is InChI=1S/C10H20O/c1-3-5-6-7-8-10-11-9-4-2/h4,9H,3,5-8,10H2,1-2H3/b9-4+.
What are the key properties of 1-[(E)-prop-1-enoxy]heptane?
1-[(E)-prop-1-enoxy]heptane has a molecular weight of 156.27 g/mol, XLogP of 3.51, 7 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]heptane is sourced from PubChem (CID 14637790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).