2-(2-iodoethoxy)-5-(2-methylpropyl)oxolane

C10H19IO2 — CID 19835761

IUPAC2-(2-iodoethoxy)-5-(2-methylpropyl)oxolane
SMILESCC(C)CC1CCC(OCCI)O1
InChIInChI=1S/C10H19IO2/c1-8(2)7-9-3-4-10(13-9)12-6-5-11/h8-10H,3-7H2,1-2H3
InChIKeyYTDVNRSAGFPUID-UHFFFAOYSA-N
MW298.16 g/mol
LogP2.99
Rot. Bonds5

About 2-(2-iodoethoxy)-5-(2-methylpropyl)oxolane

2-(2-iodoethoxy)-5-(2-methylpropyl)oxolane (PubChem CID 19835761) has the molecular formula C10H19IO2 and a molecular weight of 298.16 g/mol. Its IUPAC name is 2-(2-iodoethoxy)-5-(2-methylpropyl)oxolane.

Molecular Properties

Compound Name2-(2-iodoethoxy)-5-(2-methylpropyl)oxolane
PubChem CID19835761
Molecular FormulaC10H19IO2
Molecular Weight298.16 g/mol
Exact Mass298.04
IUPAC Name2-(2-iodoethoxy)-5-(2-methylpropyl)oxolane
SMILESCC(C)CC1CCC(OCCI)O1
InChIInChI=1S/C10H19IO2/c1-8(2)7-9-3-4-10(13-9)12-6-5-11/h8-10H,3-7H2,1-2H3
InChIKeyYTDVNRSAGFPUID-UHFFFAOYSA-N
XLogP2.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 52.99
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-(2-iodoethoxy)-5-(2-methylpropyl)oxolane?
The IUPAC name of 2-(2-iodoethoxy)-5-(2-methylpropyl)oxolane (CID 19835761) is 2-(2-iodoethoxy)-5-(2-methylpropyl)oxolane.
What is the SMILES notation for 2-(2-iodoethoxy)-5-(2-methylpropyl)oxolane?
The canonical SMILES for 2-(2-iodoethoxy)-5-(2-methylpropyl)oxolane is CC(C)CC1CCC(OCCI)O1.
What is the InChIKey of 2-(2-iodoethoxy)-5-(2-methylpropyl)oxolane?
The InChIKey is YTDVNRSAGFPUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19IO2/c1-8(2)7-9-3-4-10(13-9)12-6-5-11/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-(2-iodoethoxy)-5-(2-methylpropyl)oxolane?
2-(2-iodoethoxy)-5-(2-methylpropyl)oxolane has a molecular weight of 298.16 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodoethoxy)-5-(2-methylpropyl)oxolane is sourced from PubChem (CID 19835761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).