1-chloro-3-iodo-2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane

C9H18ClIO3 — CID 114775136

IUPAC1-chloro-3-iodo-2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane
SMILESCOCCOCCOC(C)(CCl)CI
InChIInChI=1S/C9H18ClIO3/c1-9(7-10,8-11)14-6-5-13-4-3-12-2/h3-8H2,1-2H3
InChIKeyPXXVRDYCPHSLEE-UHFFFAOYSA-N
MW336.60 g/mol
LogP2.10
Rot. Bonds9

About 1-chloro-3-iodo-2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane

1-chloro-3-iodo-2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane (PubChem CID 114775136) has the molecular formula C9H18ClIO3 and a molecular weight of 336.60 g/mol. Its IUPAC name is 1-chloro-3-iodo-2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane.

Molecular Properties

Compound Name1-chloro-3-iodo-2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane
PubChem CID114775136
Molecular FormulaC9H18ClIO3
Molecular Weight336.60 g/mol
Exact Mass336.00
IUPAC Name1-chloro-3-iodo-2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane
SMILESCOCCOCCOC(C)(CCl)CI
InChIInChI=1S/C9H18ClIO3/c1-9(7-10,8-11)14-6-5-13-4-3-12-2/h3-8H2,1-2H3
InChIKeyPXXVRDYCPHSLEE-UHFFFAOYSA-N
XLogP2.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.60
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-[3-Chloro-2-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane
CID 59170484
2-[2-(2-Chloroethoxy)ethoxy]-2-methylpropane
CID 63664610
3-(Chloromethyl)-2-ethoxy-4-iodo-3-methoxypentane
CID 129235282
2-(3-Chloro-2-methoxypropoxy)-2-methylpropane
CID 129252094
1-Chloro-3-[2-(3-iodopropoxy)ethoxy]propane
CID 137354399
(1S)-1-chloro-1-[2-(3-iodopropoxy)ethoxy]propane
CID 137357337
[3-(Chloromethyl)-5,6-dimethyl-1,4-dioxan-2-yl]-propan-2-ylidene-lambda3-iodane
CID 141781022
1-Chloro-2-(2-methoxyethoxy)-2-methylpropane
CID 12398943
2-[2-(2-Chloroethoxy)ethoxy]-2-methylbutane
CID 63664808
3-[(1-Chloro-3-iodo-2-methylpropan-2-yl)oxy]oxetane
CID 102607663
1-Chloro-3-iodo-2-[2-(3-methoxypropoxy)ethoxy]-2-methylpropane
CID 103180294
1-Chloro-3-iodo-2-[3-(2-methoxyethoxy)propoxy]-2-methylpropane
CID 103404994

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-iodo-2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane?
The IUPAC name of 1-chloro-3-iodo-2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane (CID 114775136) is 1-chloro-3-iodo-2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane.
What is the SMILES notation for 1-chloro-3-iodo-2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane?
The canonical SMILES for 1-chloro-3-iodo-2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane is COCCOCCOC(C)(CCl)CI.
What is the InChIKey of 1-chloro-3-iodo-2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane?
The InChIKey is PXXVRDYCPHSLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClIO3/c1-9(7-10,8-11)14-6-5-13-4-3-12-2/h3-8H2,1-2H3.
What are the key properties of 1-chloro-3-iodo-2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane?
1-chloro-3-iodo-2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane has a molecular weight of 336.60 g/mol, XLogP of 2.10, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-iodo-2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane is sourced from PubChem (CID 114775136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).