1-chloro-2-(2-ethoxyethoxy)-3-iodo-2-methylpropane

C8H16ClIO2 — CID 114772612

IUPAC1-chloro-2-(2-ethoxyethoxy)-3-iodo-2-methylpropane
SMILESCCOCCOC(C)(CCl)CI
InChIInChI=1S/C8H16ClIO2/c1-3-11-4-5-12-8(2,6-9)7-10/h3-7H2,1-2H3
InChIKeyAPNJDFZDRWIKJH-UHFFFAOYSA-N
MW306.57 g/mol
LogP2.47
Rot. Bonds7

About 1-chloro-2-(2-ethoxyethoxy)-3-iodo-2-methylpropane

1-chloro-2-(2-ethoxyethoxy)-3-iodo-2-methylpropane (PubChem CID 114772612) has the molecular formula C8H16ClIO2 and a molecular weight of 306.57 g/mol. Its IUPAC name is 1-chloro-2-(2-ethoxyethoxy)-3-iodo-2-methylpropane.

Molecular Properties

Compound Name1-chloro-2-(2-ethoxyethoxy)-3-iodo-2-methylpropane
PubChem CID114772612
Molecular FormulaC8H16ClIO2
Molecular Weight306.57 g/mol
Exact Mass305.99
IUPAC Name1-chloro-2-(2-ethoxyethoxy)-3-iodo-2-methylpropane
SMILESCCOCCOC(C)(CCl)CI
InChIInChI=1S/C8H16ClIO2/c1-3-11-4-5-12-8(2,6-9)7-10/h3-7H2,1-2H3
InChIKeyAPNJDFZDRWIKJH-UHFFFAOYSA-N
XLogP2.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.57
LogP ≤ 52.47
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 1-chloro-2-(2-ethoxyethoxy)-3-iodo-2-methylpropane?
The IUPAC name of 1-chloro-2-(2-ethoxyethoxy)-3-iodo-2-methylpropane (CID 114772612) is 1-chloro-2-(2-ethoxyethoxy)-3-iodo-2-methylpropane.
What is the SMILES notation for 1-chloro-2-(2-ethoxyethoxy)-3-iodo-2-methylpropane?
The canonical SMILES for 1-chloro-2-(2-ethoxyethoxy)-3-iodo-2-methylpropane is CCOCCOC(C)(CCl)CI.
What is the InChIKey of 1-chloro-2-(2-ethoxyethoxy)-3-iodo-2-methylpropane?
The InChIKey is APNJDFZDRWIKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClIO2/c1-3-11-4-5-12-8(2,6-9)7-10/h3-7H2,1-2H3.
What are the key properties of 1-chloro-2-(2-ethoxyethoxy)-3-iodo-2-methylpropane?
1-chloro-2-(2-ethoxyethoxy)-3-iodo-2-methylpropane has a molecular weight of 306.57 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2-ethoxyethoxy)-3-iodo-2-methylpropane is sourced from PubChem (CID 114772612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).