1-chloro-3-[2-(3-iodopropoxy)ethoxy]propane

C8H16ClIO2 — CID 137354399

IUPAC1-chloro-3-[2-(3-iodopropoxy)ethoxy]propane
SMILESClCCCOCCOCCCI
InChIInChI=1S/C8H16ClIO2/c9-3-1-5-11-7-8-12-6-2-4-10/h1-8H2
InChIKeyOIROXGMHOXBASW-UHFFFAOYSA-N
MW306.57 g/mol
LogP2.47
Rot. Bonds9

About 1-chloro-3-[2-(3-iodopropoxy)ethoxy]propane

1-chloro-3-[2-(3-iodopropoxy)ethoxy]propane (PubChem CID 137354399) has the molecular formula C8H16ClIO2 and a molecular weight of 306.57 g/mol. Its IUPAC name is 1-chloro-3-[2-(3-iodopropoxy)ethoxy]propane.

Molecular Properties

Compound Name1-chloro-3-[2-(3-iodopropoxy)ethoxy]propane
PubChem CID137354399
Molecular FormulaC8H16ClIO2
Molecular Weight306.57 g/mol
Exact Mass305.99
IUPAC Name1-chloro-3-[2-(3-iodopropoxy)ethoxy]propane
SMILESClCCCOCCOCCCI
InChIInChI=1S/C8H16ClIO2/c9-3-1-5-11-7-8-12-6-2-4-10/h1-8H2
InChIKeyOIROXGMHOXBASW-UHFFFAOYSA-N
XLogP2.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
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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Related Compounds

1-chloro-6-[2-(2-chloroethoxy)ethoxy]hexane
CID 176729124
1-chloro-2-(2-iodoethoxy)ethane
CID 86625811
1-(3-iodopropoxy)dodecane
CID 10021003
1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethane
CID 13072765
4-(3-chloropropoxy)but-1-yne
CID 55303034
1-chloro-5-(2-methoxyethoxy)pentane
CID 43348436
1-chloro-6-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]hexane
CID 89239780
1-chloro-3-(3-chloropropoxy)propane;nitric acid
CID 172696075
1-(2-chloroethoxy)-3-[2-(2-chloroethoxy)ethoxymethoxy]propane
CID 21428408
2-(3-iodopropoxy)ethoxy-methoxy-dimethylsilane
CID 141480151
2-(3-chloropropoxy)ethoxybenzene
CID 24689326
3-(3-chloropropoxy)propanoic acid
CID 139466020

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[2-(3-iodopropoxy)ethoxy]propane?
The IUPAC name of 1-chloro-3-[2-(3-iodopropoxy)ethoxy]propane (CID 137354399) is 1-chloro-3-[2-(3-iodopropoxy)ethoxy]propane.
What is the SMILES notation for 1-chloro-3-[2-(3-iodopropoxy)ethoxy]propane?
The canonical SMILES for 1-chloro-3-[2-(3-iodopropoxy)ethoxy]propane is ClCCCOCCOCCCI.
What is the InChIKey of 1-chloro-3-[2-(3-iodopropoxy)ethoxy]propane?
The InChIKey is OIROXGMHOXBASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClIO2/c9-3-1-5-11-7-8-12-6-2-4-10/h1-8H2.
What are the key properties of 1-chloro-3-[2-(3-iodopropoxy)ethoxy]propane?
1-chloro-3-[2-(3-iodopropoxy)ethoxy]propane has a molecular weight of 306.57 g/mol, XLogP of 2.47, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[2-(3-iodopropoxy)ethoxy]propane is sourced from PubChem (CID 137354399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).