2-(2-ethylcyclohexyl)-5-(iodomethyl)oxolane

C13H23IO — CID 130871631

IUPAC2-(2-ethylcyclohexyl)-5-(iodomethyl)oxolane
SMILESCCC1CCCCC1C1CCC(CI)O1
InChIInChI=1S/C13H23IO/c1-2-10-5-3-4-6-12(10)13-8-7-11(9-14)15-13/h10-13H,2-9H2,1H3
InChIKeyZUNBLPNECMAPSN-UHFFFAOYSA-N
MW322.23 g/mol
LogP4.19
Rot. Bonds3

About 2-(2-ethylcyclohexyl)-5-(iodomethyl)oxolane

2-(2-ethylcyclohexyl)-5-(iodomethyl)oxolane (PubChem CID 130871631) has the molecular formula C13H23IO and a molecular weight of 322.23 g/mol. Its IUPAC name is 2-(2-ethylcyclohexyl)-5-(iodomethyl)oxolane.

Molecular Properties

Compound Name2-(2-ethylcyclohexyl)-5-(iodomethyl)oxolane
PubChem CID130871631
Molecular FormulaC13H23IO
Molecular Weight322.23 g/mol
Exact Mass322.08
IUPAC Name2-(2-ethylcyclohexyl)-5-(iodomethyl)oxolane
SMILESCCC1CCCCC1C1CCC(CI)O1
InChIInChI=1S/C13H23IO/c1-2-10-5-3-4-6-12(10)13-8-7-11(9-14)15-13/h10-13H,2-9H2,1H3
InChIKeyZUNBLPNECMAPSN-UHFFFAOYSA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 54.19
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-(2-ethylcyclohexyl)-5-(iodomethyl)oxolane?
The IUPAC name of 2-(2-ethylcyclohexyl)-5-(iodomethyl)oxolane (CID 130871631) is 2-(2-ethylcyclohexyl)-5-(iodomethyl)oxolane.
What is the SMILES notation for 2-(2-ethylcyclohexyl)-5-(iodomethyl)oxolane?
The canonical SMILES for 2-(2-ethylcyclohexyl)-5-(iodomethyl)oxolane is CCC1CCCCC1C1CCC(CI)O1.
What is the InChIKey of 2-(2-ethylcyclohexyl)-5-(iodomethyl)oxolane?
The InChIKey is ZUNBLPNECMAPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23IO/c1-2-10-5-3-4-6-12(10)13-8-7-11(9-14)15-13/h10-13H,2-9H2,1H3.
What are the key properties of 2-(2-ethylcyclohexyl)-5-(iodomethyl)oxolane?
2-(2-ethylcyclohexyl)-5-(iodomethyl)oxolane has a molecular weight of 322.23 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylcyclohexyl)-5-(iodomethyl)oxolane is sourced from PubChem (CID 130871631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).