[1-ethoxy-2-(1-iodo-2-methylpropan-2-yl)oxyethyl]cyclopropane

C11H21IO2 — CID 165494950

IUPAC[1-ethoxy-2-(1-iodo-2-methylpropan-2-yl)oxyethyl]cyclopropane
SMILESCCOC(COC(C)(C)CI)C1CC1
InChIInChI=1S/C11H21IO2/c1-4-13-10(9-5-6-9)7-14-11(2,3)8-12/h9-10H,4-8H2,1-3H3
InChIKeyCCHFKXHHKXETLH-UHFFFAOYSA-N
MW312.19 g/mol
LogP3.03
Rot. Bonds7

About [1-ethoxy-2-(1-iodo-2-methylpropan-2-yl)oxyethyl]cyclopropane

[1-ethoxy-2-(1-iodo-2-methylpropan-2-yl)oxyethyl]cyclopropane (PubChem CID 165494950) has the molecular formula C11H21IO2 and a molecular weight of 312.19 g/mol. Its IUPAC name is [1-ethoxy-2-(1-iodo-2-methylpropan-2-yl)oxyethyl]cyclopropane.

Molecular Properties

Compound Name[1-ethoxy-2-(1-iodo-2-methylpropan-2-yl)oxyethyl]cyclopropane
PubChem CID165494950
Molecular FormulaC11H21IO2
Molecular Weight312.19 g/mol
Exact Mass312.06
IUPAC Name[1-ethoxy-2-(1-iodo-2-methylpropan-2-yl)oxyethyl]cyclopropane
SMILESCCOC(COC(C)(C)CI)C1CC1
InChIInChI=1S/C11H21IO2/c1-4-13-10(9-5-6-9)7-14-11(2,3)8-12/h9-10H,4-8H2,1-3H3
InChIKeyCCHFKXHHKXETLH-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': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-ethoxy-2-(1-iodo-2-methylpropan-2-yl)oxyethyl]cyclopropane?
The IUPAC name of [1-ethoxy-2-(1-iodo-2-methylpropan-2-yl)oxyethyl]cyclopropane (CID 165494950) is [1-ethoxy-2-(1-iodo-2-methylpropan-2-yl)oxyethyl]cyclopropane.
What is the SMILES notation for [1-ethoxy-2-(1-iodo-2-methylpropan-2-yl)oxyethyl]cyclopropane?
The canonical SMILES for [1-ethoxy-2-(1-iodo-2-methylpropan-2-yl)oxyethyl]cyclopropane is CCOC(COC(C)(C)CI)C1CC1.
What is the InChIKey of [1-ethoxy-2-(1-iodo-2-methylpropan-2-yl)oxyethyl]cyclopropane?
The InChIKey is CCHFKXHHKXETLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21IO2/c1-4-13-10(9-5-6-9)7-14-11(2,3)8-12/h9-10H,4-8H2,1-3H3.
What are the key properties of [1-ethoxy-2-(1-iodo-2-methylpropan-2-yl)oxyethyl]cyclopropane?
[1-ethoxy-2-(1-iodo-2-methylpropan-2-yl)oxyethyl]cyclopropane 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 [1-ethoxy-2-(1-iodo-2-methylpropan-2-yl)oxyethyl]cyclopropane is sourced from PubChem (CID 165494950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).