1-(1-iodo-2-methylpropan-2-yl)oxyethylcyclopropane

C9H17IO — CID 165489831

IUPAC1-(1-iodo-2-methylpropan-2-yl)oxyethylcyclopropane
SMILESCC(OC(C)(C)CI)C1CC1
InChIInChI=1S/C9H17IO/c1-7(8-4-5-8)11-9(2,3)6-10/h7-8H,4-6H2,1-3H3
InChIKeyBNNARDBGTLHUBW-UHFFFAOYSA-N
MW268.14 g/mol
LogP3.02
Rot. Bonds4

About 1-(1-iodo-2-methylpropan-2-yl)oxyethylcyclopropane

1-(1-iodo-2-methylpropan-2-yl)oxyethylcyclopropane (PubChem CID 165489831) has the molecular formula C9H17IO and a molecular weight of 268.14 g/mol. Its IUPAC name is 1-(1-iodo-2-methylpropan-2-yl)oxyethylcyclopropane.

Molecular Properties

Compound Name1-(1-iodo-2-methylpropan-2-yl)oxyethylcyclopropane
PubChem CID165489831
Molecular FormulaC9H17IO
Molecular Weight268.14 g/mol
Exact Mass268.03
IUPAC Name1-(1-iodo-2-methylpropan-2-yl)oxyethylcyclopropane
SMILESCC(OC(C)(C)CI)C1CC1
InChIInChI=1S/C9H17IO/c1-7(8-4-5-8)11-9(2,3)6-10/h7-8H,4-6H2,1-3H3
InChIKeyBNNARDBGTLHUBW-UHFFFAOYSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 53.02
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'}

Analyze 1-(1-iodo-2-methylpropan-2-yl)oxyethylcyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-iodo-2-methylpropan-2-yl)oxyethylcyclopropane?
The IUPAC name of 1-(1-iodo-2-methylpropan-2-yl)oxyethylcyclopropane (CID 165489831) is 1-(1-iodo-2-methylpropan-2-yl)oxyethylcyclopropane.
What is the SMILES notation for 1-(1-iodo-2-methylpropan-2-yl)oxyethylcyclopropane?
The canonical SMILES for 1-(1-iodo-2-methylpropan-2-yl)oxyethylcyclopropane is CC(OC(C)(C)CI)C1CC1.
What is the InChIKey of 1-(1-iodo-2-methylpropan-2-yl)oxyethylcyclopropane?
The InChIKey is BNNARDBGTLHUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17IO/c1-7(8-4-5-8)11-9(2,3)6-10/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-(1-iodo-2-methylpropan-2-yl)oxyethylcyclopropane?
1-(1-iodo-2-methylpropan-2-yl)oxyethylcyclopropane has a molecular weight of 268.14 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-iodo-2-methylpropan-2-yl)oxyethylcyclopropane is sourced from PubChem (CID 165489831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).