1-chloro-3-iodo-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane

C10H20ClIO2 — CID 114775030

IUPAC1-chloro-3-iodo-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane
SMILESCC(C)(C)OCCOC(C)(CCl)CI
InChIInChI=1S/C10H20ClIO2/c1-9(2,3)13-5-6-14-10(4,7-11)8-12/h5-8H2,1-4H3
InChIKeyLCIYGKPZQBHNHZ-UHFFFAOYSA-N
MW334.63 g/mol
LogP3.25
Rot. Bonds6

About 1-chloro-3-iodo-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane

1-chloro-3-iodo-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane (PubChem CID 114775030) has the molecular formula C10H20ClIO2 and a molecular weight of 334.63 g/mol. Its IUPAC name is 1-chloro-3-iodo-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane.

Molecular Properties

Compound Name1-chloro-3-iodo-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane
PubChem CID114775030
Molecular FormulaC10H20ClIO2
Molecular Weight334.63 g/mol
Exact Mass334.02
IUPAC Name1-chloro-3-iodo-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane
SMILESCC(C)(C)OCCOC(C)(CCl)CI
InChIInChI=1S/C10H20ClIO2/c1-9(2,3)13-5-6-14-10(4,7-11)8-12/h5-8H2,1-4H3
InChIKeyLCIYGKPZQBHNHZ-UHFFFAOYSA-N
XLogP3.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.63
LogP ≤ 53.25
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

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-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane?
The IUPAC name of 1-chloro-3-iodo-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane (CID 114775030) is 1-chloro-3-iodo-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane.
What is the SMILES notation for 1-chloro-3-iodo-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane?
The canonical SMILES for 1-chloro-3-iodo-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane is CC(C)(C)OCCOC(C)(CCl)CI.
What is the InChIKey of 1-chloro-3-iodo-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane?
The InChIKey is LCIYGKPZQBHNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClIO2/c1-9(2,3)13-5-6-14-10(4,7-11)8-12/h5-8H2,1-4H3.
What are the key properties of 1-chloro-3-iodo-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane?
1-chloro-3-iodo-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane has a molecular weight of 334.63 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-iodo-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane is sourced from PubChem (CID 114775030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).