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

C8H16ClIO2 — CID 137357337

IUPAC(1S)-1-chloro-1-[2-(3-iodopropoxy)ethoxy]propane
SMILESCC[C@H](Cl)OCCOCCCI
InChIInChI=1S/C8H16ClIO2/c1-2-8(9)12-7-6-11-5-3-4-10/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeyZDYORMNOEBYGKW-MRVPVSSYSA-N
MW306.57 g/mol
LogP2.82
Rot. Bonds8

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

(1S)-1-chloro-1-[2-(3-iodopropoxy)ethoxy]propane (PubChem CID 137357337) has the molecular formula C8H16ClIO2 and a molecular weight of 306.57 g/mol. Its IUPAC name is (1S)-1-chloro-1-[2-(3-iodopropoxy)ethoxy]propane.

Molecular Properties

Compound Name(1S)-1-chloro-1-[2-(3-iodopropoxy)ethoxy]propane
PubChem CID137357337
Molecular FormulaC8H16ClIO2
Molecular Weight306.57 g/mol
Exact Mass305.99
IUPAC Name(1S)-1-chloro-1-[2-(3-iodopropoxy)ethoxy]propane
SMILESCC[C@H](Cl)OCCOCCCI
InChIInChI=1S/C8H16ClIO2/c1-2-8(9)12-7-6-11-5-3-4-10/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeyZDYORMNOEBYGKW-MRVPVSSYSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.57
LogP ≤ 52.82
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-3-(2-(2-methoxyethoxy)ethoxy)propane
CID 547794
1-Chloro-3-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}propane
CID 13688963
1,3-Dichloro-1-[2-(2-propoxyethoxy)ethoxy]propane
CID 88212749
1-Chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane
CID 88682894
1-Chloro-3-[2-(3-iodopropoxy)ethoxy]propane
CID 137354399
[3-(Chloromethyl)-5,6-dimethyl-1,4-dioxan-2-yl]-propan-2-ylidene-lambda3-iodane
CID 141781022
1-[2-(3-Chloropropoxy)ethoxy]butane;ethane
CID 142492017
1-Chloro-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propane
CID 173231348
1-[2-(3-Chloropropoxy)ethoxy]butane
CID 29000943
1-Chloro-3-(2-propoxyethoxy)propane
CID 63687121
1-Chloro-1-[2-(1-chloropropoxy)ethoxy]propane
CID 101949906
1-[2-(3-Chloropropoxy)ethoxy]-3-methoxypropane
CID 103177369

Frequently Asked Questions

What is the IUPAC name of (1S)-1-chloro-1-[2-(3-iodopropoxy)ethoxy]propane?
The IUPAC name of (1S)-1-chloro-1-[2-(3-iodopropoxy)ethoxy]propane (CID 137357337) is (1S)-1-chloro-1-[2-(3-iodopropoxy)ethoxy]propane.
What is the SMILES notation for (1S)-1-chloro-1-[2-(3-iodopropoxy)ethoxy]propane?
The canonical SMILES for (1S)-1-chloro-1-[2-(3-iodopropoxy)ethoxy]propane is CC[C@H](Cl)OCCOCCCI.
What is the InChIKey of (1S)-1-chloro-1-[2-(3-iodopropoxy)ethoxy]propane?
The InChIKey is ZDYORMNOEBYGKW-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16ClIO2/c1-2-8(9)12-7-6-11-5-3-4-10/h8H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of (1S)-1-chloro-1-[2-(3-iodopropoxy)ethoxy]propane?
(1S)-1-chloro-1-[2-(3-iodopropoxy)ethoxy]propane has a molecular weight of 306.57 g/mol, XLogP of 2.82, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-chloro-1-[2-(3-iodopropoxy)ethoxy]propane is sourced from PubChem (CID 137357337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).