2-[(1E,4Z)-5-iodo-3-methylpenta-1,4-dienoxy]oxolane

C10H15IO2 — CID 102524572

IUPAC2-[(1E,4Z)-5-iodo-3-methylpenta-1,4-dienoxy]oxolane
SMILESCC(/C=C\I)/C=C/OC1CCCO1
InChIInChI=1S/C10H15IO2/c1-9(4-6-11)5-8-13-10-3-2-7-12-10/h4-6,8-10H,2-3,7H2,1H3/b6-4-,8-5+
InChIKeyIFCDUTFTEIWZOW-QXMOYCCXSA-N
MW294.13 g/mol
LogP3.24
Rot. Bonds4

About 2-[(1E,4Z)-5-iodo-3-methylpenta-1,4-dienoxy]oxolane

2-[(1E,4Z)-5-iodo-3-methylpenta-1,4-dienoxy]oxolane (PubChem CID 102524572) has the molecular formula C10H15IO2 and a molecular weight of 294.13 g/mol. Its IUPAC name is 2-[(1E,4Z)-5-iodo-3-methylpenta-1,4-dienoxy]oxolane.

Molecular Properties

Compound Name2-[(1E,4Z)-5-iodo-3-methylpenta-1,4-dienoxy]oxolane
PubChem CID102524572
Molecular FormulaC10H15IO2
Molecular Weight294.13 g/mol
Exact Mass294.01
IUPAC Name2-[(1E,4Z)-5-iodo-3-methylpenta-1,4-dienoxy]oxolane
SMILESCC(/C=C\I)/C=C/OC1CCCO1
InChIInChI=1S/C10H15IO2/c1-9(4-6-11)5-8-13-10-3-2-7-12-10/h4-6,8-10H,2-3,7H2,1H3/b6-4-,8-5+
InChIKeyIFCDUTFTEIWZOW-QXMOYCCXSA-N
XLogP3.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.13
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1E,4Z)-5-iodo-3-methylpenta-1,4-dienoxy]oxolane?
The IUPAC name of 2-[(1E,4Z)-5-iodo-3-methylpenta-1,4-dienoxy]oxolane (CID 102524572) is 2-[(1E,4Z)-5-iodo-3-methylpenta-1,4-dienoxy]oxolane.
What is the SMILES notation for 2-[(1E,4Z)-5-iodo-3-methylpenta-1,4-dienoxy]oxolane?
The canonical SMILES for 2-[(1E,4Z)-5-iodo-3-methylpenta-1,4-dienoxy]oxolane is CC(/C=C\I)/C=C/OC1CCCO1.
What is the InChIKey of 2-[(1E,4Z)-5-iodo-3-methylpenta-1,4-dienoxy]oxolane?
The InChIKey is IFCDUTFTEIWZOW-QXMOYCCXSA-N. The full InChI is InChI=1S/C10H15IO2/c1-9(4-6-11)5-8-13-10-3-2-7-12-10/h4-6,8-10H,2-3,7H2,1H3/b6-4-,8-5+.
What are the key properties of 2-[(1E,4Z)-5-iodo-3-methylpenta-1,4-dienoxy]oxolane?
2-[(1E,4Z)-5-iodo-3-methylpenta-1,4-dienoxy]oxolane has a molecular weight of 294.13 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,4Z)-5-iodo-3-methylpenta-1,4-dienoxy]oxolane is sourced from PubChem (CID 102524572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).