2-(3-iodopropyl)oxolane

C7H13IO — CID 65170470

IUPAC2-(3-iodopropyl)oxolane
SMILESICCCC1CCCO1
InChIInChI=1S/C7H13IO/c8-5-1-3-7-4-2-6-9-7/h7H,1-6H2
InChIKeyWREHFIREBNMDDJ-UHFFFAOYSA-N
MW240.08 g/mol
LogP2.38
Rot. Bonds3

About 2-(3-iodopropyl)oxolane

2-(3-iodopropyl)oxolane (PubChem CID 65170470) has the molecular formula C7H13IO and a molecular weight of 240.08 g/mol. Its IUPAC name is 2-(3-iodopropyl)oxolane.

Molecular Properties

Compound Name2-(3-iodopropyl)oxolane
PubChem CID65170470
Molecular FormulaC7H13IO
Molecular Weight240.08 g/mol
Exact Mass240.00
IUPAC Name2-(3-iodopropyl)oxolane
SMILESICCCC1CCCO1
InChIInChI=1S/C7H13IO/c8-5-1-3-7-4-2-6-9-7/h7H,1-6H2
InChIKeyWREHFIREBNMDDJ-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.08
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(Iodomethyl)oxolane
CID 364860
2-(Iodomethyl)-5-methyloxolane
CID 558946
2-Propyltetrahydrofuran
CID 551240
2-(Iodomethyl)oxepane
CID 2763025
(2S)-2-(iodomethyl)oxolane
CID 36689200
(2R)-2-(iodomethyl)oxolane
CID 40548299
(2S)-2-[(1S)-1-iodoethyl]oxolane
CID 68229377
(2R)-2-[(1R)-1-iodohexyl]oxolane
CID 44220659
2beta-[(R)-1-Iodobutyl]tetrahydrofuran
CID 71377068
(2S,5S)-2-(iodomethyl)-5-methyloxolane
CID 92860810
trans-2-Methyl-5-iodomethyltetrahydrofuran
CID 92860812
(2R)-2-[(1R)-1-iodoethyl]oxolane
CID 101274090

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodopropyl)oxolane?
The IUPAC name of 2-(3-iodopropyl)oxolane (CID 65170470) is 2-(3-iodopropyl)oxolane.
What is the SMILES notation for 2-(3-iodopropyl)oxolane?
The canonical SMILES for 2-(3-iodopropyl)oxolane is ICCCC1CCCO1.
What is the InChIKey of 2-(3-iodopropyl)oxolane?
The InChIKey is WREHFIREBNMDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13IO/c8-5-1-3-7-4-2-6-9-7/h7H,1-6H2.
What are the key properties of 2-(3-iodopropyl)oxolane?
2-(3-iodopropyl)oxolane has a molecular weight of 240.08 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodopropyl)oxolane is sourced from PubChem (CID 65170470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).