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

C11H21IO2 — CID 165493568

IUPAC2-(1-iodo-2-methylpropan-2-yl)oxyethoxymethylcyclobutane
SMILESCC(C)(CI)OCCOCC1CCC1
InChIInChI=1S/C11H21IO2/c1-11(2,9-12)14-7-6-13-8-10-4-3-5-10/h10H,3-9H2,1-2H3
InChIKeyFAYCEBPMWBTGHX-UHFFFAOYSA-N
MW312.19 g/mol
LogP3.03
Rot. Bonds7

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

2-(1-iodo-2-methylpropan-2-yl)oxyethoxymethylcyclobutane (PubChem CID 165493568) has the molecular formula C11H21IO2 and a molecular weight of 312.19 g/mol. Its IUPAC name is 2-(1-iodo-2-methylpropan-2-yl)oxyethoxymethylcyclobutane.

Molecular Properties

Compound Name2-(1-iodo-2-methylpropan-2-yl)oxyethoxymethylcyclobutane
PubChem CID165493568
Molecular FormulaC11H21IO2
Molecular Weight312.19 g/mol
Exact Mass312.06
IUPAC Name2-(1-iodo-2-methylpropan-2-yl)oxyethoxymethylcyclobutane
SMILESCC(C)(CI)OCCOCC1CCC1
InChIInChI=1S/C11H21IO2/c1-11(2,9-12)14-7-6-13-8-10-4-3-5-10/h10H,3-9H2,1-2H3
InChIKeyFAYCEBPMWBTGHX-UHFFFAOYSA-N
XLogP3.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)oxyethoxymethylcyclobutane?
The IUPAC name of 2-(1-iodo-2-methylpropan-2-yl)oxyethoxymethylcyclobutane (CID 165493568) is 2-(1-iodo-2-methylpropan-2-yl)oxyethoxymethylcyclobutane.
What is the SMILES notation for 2-(1-iodo-2-methylpropan-2-yl)oxyethoxymethylcyclobutane?
The canonical SMILES for 2-(1-iodo-2-methylpropan-2-yl)oxyethoxymethylcyclobutane is CC(C)(CI)OCCOCC1CCC1.
What is the InChIKey of 2-(1-iodo-2-methylpropan-2-yl)oxyethoxymethylcyclobutane?
The InChIKey is FAYCEBPMWBTGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21IO2/c1-11(2,9-12)14-7-6-13-8-10-4-3-5-10/h10H,3-9H2,1-2H3.
What are the key properties of 2-(1-iodo-2-methylpropan-2-yl)oxyethoxymethylcyclobutane?
2-(1-iodo-2-methylpropan-2-yl)oxyethoxymethylcyclobutane has a molecular weight of 312.19 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-iodo-2-methylpropan-2-yl)oxyethoxymethylcyclobutane is sourced from PubChem (CID 165493568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).