2-cyclopropyl-5-(iodomethyl)oxolane

C8H13IO — CID 126970884

IUPAC2-cyclopropyl-5-(iodomethyl)oxolane
SMILESICC1CCC(C2CC2)O1
InChIInChI=1S/C8H13IO/c9-5-7-3-4-8(10-7)6-1-2-6/h6-8H,1-5H2
InChIKeyAWZSXTJGUIPKIU-UHFFFAOYSA-N
MW252.09 g/mol
LogP2.38
Rot. Bonds2

About 2-cyclopropyl-5-(iodomethyl)oxolane

2-cyclopropyl-5-(iodomethyl)oxolane (PubChem CID 126970884) has the molecular formula C8H13IO and a molecular weight of 252.09 g/mol. Its IUPAC name is 2-cyclopropyl-5-(iodomethyl)oxolane.

Molecular Properties

Compound Name2-cyclopropyl-5-(iodomethyl)oxolane
PubChem CID126970884
Molecular FormulaC8H13IO
Molecular Weight252.09 g/mol
Exact Mass252.00
IUPAC Name2-cyclopropyl-5-(iodomethyl)oxolane
SMILESICC1CCC(C2CC2)O1
InChIInChI=1S/C8H13IO/c9-5-7-3-4-8(10-7)6-1-2-6/h6-8H,1-5H2
InChIKeyAWZSXTJGUIPKIU-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.09
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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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(iodomethyl)oxolane?
The IUPAC name of 2-cyclopropyl-5-(iodomethyl)oxolane (CID 126970884) is 2-cyclopropyl-5-(iodomethyl)oxolane.
What is the SMILES notation for 2-cyclopropyl-5-(iodomethyl)oxolane?
The canonical SMILES for 2-cyclopropyl-5-(iodomethyl)oxolane is ICC1CCC(C2CC2)O1.
What is the InChIKey of 2-cyclopropyl-5-(iodomethyl)oxolane?
The InChIKey is AWZSXTJGUIPKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13IO/c9-5-7-3-4-8(10-7)6-1-2-6/h6-8H,1-5H2.
What are the key properties of 2-cyclopropyl-5-(iodomethyl)oxolane?
2-cyclopropyl-5-(iodomethyl)oxolane has a molecular weight of 252.09 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(iodomethyl)oxolane is sourced from PubChem (CID 126970884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).