2-[(E)-8-iodo-5-methyloct-5-enoxy]oxane

C14H25IO2 — CID 10569987

IUPAC2-[(E)-8-iodo-5-methyloct-5-enoxy]oxane
SMILESC/C(=C\CCI)CCCCOC1CCCCO1
InChIInChI=1S/C14H25IO2/c1-13(8-6-10-15)7-2-4-11-16-14-9-3-5-12-17-14/h8,14H,2-7,9-12H2,1H3/b13-8+
InChIKeyCPBMILLQJOJCGP-MDWZMJQESA-N
MW352.26 g/mol
LogP4.47
Rot. Bonds8

About 2-[(E)-8-iodo-5-methyloct-5-enoxy]oxane

2-[(E)-8-iodo-5-methyloct-5-enoxy]oxane (PubChem CID 10569987) has the molecular formula C14H25IO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is 2-[(E)-8-iodo-5-methyloct-5-enoxy]oxane.

Molecular Properties

Compound Name2-[(E)-8-iodo-5-methyloct-5-enoxy]oxane
PubChem CID10569987
Molecular FormulaC14H25IO2
Molecular Weight352.26 g/mol
Exact Mass352.09
IUPAC Name2-[(E)-8-iodo-5-methyloct-5-enoxy]oxane
SMILESC/C(=C\CCI)CCCCOC1CCCCO1
InChIInChI=1S/C14H25IO2/c1-13(8-6-10-15)7-2-4-11-16-14-9-3-5-12-17-14/h8,14H,2-7,9-12H2,1H3/b13-8+
InChIKeyCPBMILLQJOJCGP-MDWZMJQESA-N
XLogP4.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-8-iodo-5-methyloct-5-enoxy]oxane?
The IUPAC name of 2-[(E)-8-iodo-5-methyloct-5-enoxy]oxane (CID 10569987) is 2-[(E)-8-iodo-5-methyloct-5-enoxy]oxane.
What is the SMILES notation for 2-[(E)-8-iodo-5-methyloct-5-enoxy]oxane?
The canonical SMILES for 2-[(E)-8-iodo-5-methyloct-5-enoxy]oxane is C/C(=C\CCI)CCCCOC1CCCCO1.
What is the InChIKey of 2-[(E)-8-iodo-5-methyloct-5-enoxy]oxane?
The InChIKey is CPBMILLQJOJCGP-MDWZMJQESA-N. The full InChI is InChI=1S/C14H25IO2/c1-13(8-6-10-15)7-2-4-11-16-14-9-3-5-12-17-14/h8,14H,2-7,9-12H2,1H3/b13-8+.
What are the key properties of 2-[(E)-8-iodo-5-methyloct-5-enoxy]oxane?
2-[(E)-8-iodo-5-methyloct-5-enoxy]oxane has a molecular weight of 352.26 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-8-iodo-5-methyloct-5-enoxy]oxane is sourced from PubChem (CID 10569987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).