2-(iodomethyl)-6-(5-methylfuran-2-yl)oxane

C11H15IO2 — CID 130583313

IUPAC2-(iodomethyl)-6-(5-methylfuran-2-yl)oxane
SMILESCc1ccc(C2CCCC(CI)O2)o1
InChIInChI=1S/C11H15IO2/c1-8-5-6-11(13-8)10-4-2-3-9(7-12)14-10/h5-6,9-10H,2-4,7H2,1H3
InChIKeyDZYZAFFJOGVXDP-UHFFFAOYSA-N
MW306.14 g/mol
LogP3.63
Rot. Bonds2

About 2-(iodomethyl)-6-(5-methylfuran-2-yl)oxane

2-(iodomethyl)-6-(5-methylfuran-2-yl)oxane (PubChem CID 130583313) has the molecular formula C11H15IO2 and a molecular weight of 306.14 g/mol. Its IUPAC name is 2-(iodomethyl)-6-(5-methylfuran-2-yl)oxane.

Molecular Properties

Compound Name2-(iodomethyl)-6-(5-methylfuran-2-yl)oxane
PubChem CID130583313
Molecular FormulaC11H15IO2
Molecular Weight306.14 g/mol
Exact Mass306.01
IUPAC Name2-(iodomethyl)-6-(5-methylfuran-2-yl)oxane
SMILESCc1ccc(C2CCCC(CI)O2)o1
InChIInChI=1S/C11H15IO2/c1-8-5-6-11(13-8)10-4-2-3-9(7-12)14-10/h5-6,9-10H,2-4,7H2,1H3
InChIKeyDZYZAFFJOGVXDP-UHFFFAOYSA-N
XLogP3.63
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.14
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(iodomethyl)-6-(5-methylfuran-2-yl)oxane?
The IUPAC name of 2-(iodomethyl)-6-(5-methylfuran-2-yl)oxane (CID 130583313) is 2-(iodomethyl)-6-(5-methylfuran-2-yl)oxane.
What is the SMILES notation for 2-(iodomethyl)-6-(5-methylfuran-2-yl)oxane?
The canonical SMILES for 2-(iodomethyl)-6-(5-methylfuran-2-yl)oxane is Cc1ccc(C2CCCC(CI)O2)o1.
What is the InChIKey of 2-(iodomethyl)-6-(5-methylfuran-2-yl)oxane?
The InChIKey is DZYZAFFJOGVXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IO2/c1-8-5-6-11(13-8)10-4-2-3-9(7-12)14-10/h5-6,9-10H,2-4,7H2,1H3.
What are the key properties of 2-(iodomethyl)-6-(5-methylfuran-2-yl)oxane?
2-(iodomethyl)-6-(5-methylfuran-2-yl)oxane has a molecular weight of 306.14 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)-6-(5-methylfuran-2-yl)oxane is sourced from PubChem (CID 130583313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).