2-[[1-(iodomethyl)cyclopentyl]oxymethyl]oxane

C12H21IO2 — CID 114772672

IUPAC2-[[1-(iodomethyl)cyclopentyl]oxymethyl]oxane
SMILESICC1(OCC2CCCCO2)CCCC1
InChIInChI=1S/C12H21IO2/c13-10-12(6-2-3-7-12)15-9-11-5-1-4-8-14-11/h11H,1-10H2
InChIKeyDQOBPNDQUQIFON-UHFFFAOYSA-N
MW324.20 g/mol
LogP3.32
Rot. Bonds4

About 2-[[1-(iodomethyl)cyclopentyl]oxymethyl]oxane

2-[[1-(iodomethyl)cyclopentyl]oxymethyl]oxane (PubChem CID 114772672) has the molecular formula C12H21IO2 and a molecular weight of 324.20 g/mol. Its IUPAC name is 2-[[1-(iodomethyl)cyclopentyl]oxymethyl]oxane.

Molecular Properties

Compound Name2-[[1-(iodomethyl)cyclopentyl]oxymethyl]oxane
PubChem CID114772672
Molecular FormulaC12H21IO2
Molecular Weight324.20 g/mol
Exact Mass324.06
IUPAC Name2-[[1-(iodomethyl)cyclopentyl]oxymethyl]oxane
SMILESICC1(OCC2CCCCO2)CCCC1
InChIInChI=1S/C12H21IO2/c13-10-12(6-2-3-7-12)15-9-11-5-1-4-8-14-11/h11H,1-10H2
InChIKeyDQOBPNDQUQIFON-UHFFFAOYSA-N
XLogP3.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 53.32
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-[[1-(iodomethyl)cyclopentyl]oxymethyl]oxane?
The IUPAC name of 2-[[1-(iodomethyl)cyclopentyl]oxymethyl]oxane (CID 114772672) is 2-[[1-(iodomethyl)cyclopentyl]oxymethyl]oxane.
What is the SMILES notation for 2-[[1-(iodomethyl)cyclopentyl]oxymethyl]oxane?
The canonical SMILES for 2-[[1-(iodomethyl)cyclopentyl]oxymethyl]oxane is ICC1(OCC2CCCCO2)CCCC1.
What is the InChIKey of 2-[[1-(iodomethyl)cyclopentyl]oxymethyl]oxane?
The InChIKey is DQOBPNDQUQIFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21IO2/c13-10-12(6-2-3-7-12)15-9-11-5-1-4-8-14-11/h11H,1-10H2.
What are the key properties of 2-[[1-(iodomethyl)cyclopentyl]oxymethyl]oxane?
2-[[1-(iodomethyl)cyclopentyl]oxymethyl]oxane has a molecular weight of 324.20 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(iodomethyl)cyclopentyl]oxymethyl]oxane is sourced from PubChem (CID 114772672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).