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

C9H17IO — CID 106204769

IUPAC2-(1-iodo-2-methylpropan-2-yl)oxyethylcyclopropane
SMILESCC(C)(CI)OCCC1CC1
InChIInChI=1S/C9H17IO/c1-9(2,7-10)11-6-5-8-3-4-8/h8H,3-7H2,1-2H3
InChIKeyKLRBALUQVWYDEM-UHFFFAOYSA-N
MW268.14 g/mol
LogP3.02
Rot. Bonds5

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

2-(1-iodo-2-methylpropan-2-yl)oxyethylcyclopropane (PubChem CID 106204769) has the molecular formula C9H17IO and a molecular weight of 268.14 g/mol. Its IUPAC name is 2-(1-iodo-2-methylpropan-2-yl)oxyethylcyclopropane.

Molecular Properties

Compound Name2-(1-iodo-2-methylpropan-2-yl)oxyethylcyclopropane
PubChem CID106204769
Molecular FormulaC9H17IO
Molecular Weight268.14 g/mol
Exact Mass268.03
IUPAC Name2-(1-iodo-2-methylpropan-2-yl)oxyethylcyclopropane
SMILESCC(C)(CI)OCCC1CC1
InChIInChI=1S/C9H17IO/c1-9(2,7-10)11-6-5-8-3-4-8/h8H,3-7H2,1-2H3
InChIKeyKLRBALUQVWYDEM-UHFFFAOYSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-iodo-2-methylpropan-2-yl)oxyethylcyclopropane?
The IUPAC name of 2-(1-iodo-2-methylpropan-2-yl)oxyethylcyclopropane (CID 106204769) is 2-(1-iodo-2-methylpropan-2-yl)oxyethylcyclopropane.
What is the SMILES notation for 2-(1-iodo-2-methylpropan-2-yl)oxyethylcyclopropane?
The canonical SMILES for 2-(1-iodo-2-methylpropan-2-yl)oxyethylcyclopropane is CC(C)(CI)OCCC1CC1.
What is the InChIKey of 2-(1-iodo-2-methylpropan-2-yl)oxyethylcyclopropane?
The InChIKey is KLRBALUQVWYDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17IO/c1-9(2,7-10)11-6-5-8-3-4-8/h8H,3-7H2,1-2H3.
What are the key properties of 2-(1-iodo-2-methylpropan-2-yl)oxyethylcyclopropane?
2-(1-iodo-2-methylpropan-2-yl)oxyethylcyclopropane has a molecular weight of 268.14 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-iodo-2-methylpropan-2-yl)oxyethylcyclopropane is sourced from PubChem (CID 106204769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).