2-cyclohexyl-5-(iodomethyl)oxolane

C11H19IO — CID 74074487

IUPAC2-cyclohexyl-5-(iodomethyl)oxolane
SMILESICC1CCC(C2CCCCC2)O1
InChIInChI=1S/C11H19IO/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h9-11H,1-8H2
InChIKeyISJHVRVRCXCVTE-UHFFFAOYSA-N
MW294.18 g/mol
LogP3.55
Rot. Bonds2

About 2-cyclohexyl-5-(iodomethyl)oxolane

2-cyclohexyl-5-(iodomethyl)oxolane (PubChem CID 74074487) has the molecular formula C11H19IO and a molecular weight of 294.18 g/mol. Its IUPAC name is 2-cyclohexyl-5-(iodomethyl)oxolane.

Molecular Properties

Compound Name2-cyclohexyl-5-(iodomethyl)oxolane
PubChem CID74074487
Molecular FormulaC11H19IO
Molecular Weight294.18 g/mol
Exact Mass294.05
IUPAC Name2-cyclohexyl-5-(iodomethyl)oxolane
SMILESICC1CCC(C2CCCCC2)O1
InChIInChI=1S/C11H19IO/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h9-11H,1-8H2
InChIKeyISJHVRVRCXCVTE-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 53.55
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-cyclohexyl-5-(iodomethyl)oxolane?
The IUPAC name of 2-cyclohexyl-5-(iodomethyl)oxolane (CID 74074487) is 2-cyclohexyl-5-(iodomethyl)oxolane.
What is the SMILES notation for 2-cyclohexyl-5-(iodomethyl)oxolane?
The canonical SMILES for 2-cyclohexyl-5-(iodomethyl)oxolane is ICC1CCC(C2CCCCC2)O1.
What is the InChIKey of 2-cyclohexyl-5-(iodomethyl)oxolane?
The InChIKey is ISJHVRVRCXCVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19IO/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h9-11H,1-8H2.
What are the key properties of 2-cyclohexyl-5-(iodomethyl)oxolane?
2-cyclohexyl-5-(iodomethyl)oxolane has a molecular weight of 294.18 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-(iodomethyl)oxolane is sourced from PubChem (CID 74074487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).