1-chloro-3-iodo-2-(1-methoxypropan-2-yloxy)-2-methylpropane

C8H16ClIO2 — CID 114774236

IUPAC1-chloro-3-iodo-2-(1-methoxypropan-2-yloxy)-2-methylpropane
SMILESCOCC(C)OC(C)(CCl)CI
InChIInChI=1S/C8H16ClIO2/c1-7(4-11-3)12-8(2,5-9)6-10/h7H,4-6H2,1-3H3
InChIKeyGJCSFOHSRCBJAH-UHFFFAOYSA-N
MW306.57 g/mol
LogP2.47
Rot. Bonds6

About 1-chloro-3-iodo-2-(1-methoxypropan-2-yloxy)-2-methylpropane

1-chloro-3-iodo-2-(1-methoxypropan-2-yloxy)-2-methylpropane (PubChem CID 114774236) has the molecular formula C8H16ClIO2 and a molecular weight of 306.57 g/mol. Its IUPAC name is 1-chloro-3-iodo-2-(1-methoxypropan-2-yloxy)-2-methylpropane.

Molecular Properties

Compound Name1-chloro-3-iodo-2-(1-methoxypropan-2-yloxy)-2-methylpropane
PubChem CID114774236
Molecular FormulaC8H16ClIO2
Molecular Weight306.57 g/mol
Exact Mass305.99
IUPAC Name1-chloro-3-iodo-2-(1-methoxypropan-2-yloxy)-2-methylpropane
SMILESCOCC(C)OC(C)(CCl)CI
InChIInChI=1S/C8H16ClIO2/c1-7(4-11-3)12-8(2,5-9)6-10/h7H,4-6H2,1-3H3
InChIKeyGJCSFOHSRCBJAH-UHFFFAOYSA-N
XLogP2.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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': '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
1-Chloro-2,3-dipropoxypropane
CID 21014976
1-Chloro-3-ethoxy-2-(2-ethoxyethoxy)propane
CID 22706836
1-Chloro-2-[2-(2-methoxyethoxy)ethoxy]propane
CID 54409843
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
(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
3-[(1-Chloro-3-iodo-2-methylpropan-2-yl)oxy]oxetane
CID 102607663
1,4-Dichloro-2-iodo-3-[2-(3-methoxypropoxy)ethoxy]butane
CID 103180251
1-Chloro-3-iodo-2-[2-(3-methoxypropoxy)ethoxy]-2-methylpropane
CID 103180294

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-iodo-2-(1-methoxypropan-2-yloxy)-2-methylpropane?
The IUPAC name of 1-chloro-3-iodo-2-(1-methoxypropan-2-yloxy)-2-methylpropane (CID 114774236) is 1-chloro-3-iodo-2-(1-methoxypropan-2-yloxy)-2-methylpropane.
What is the SMILES notation for 1-chloro-3-iodo-2-(1-methoxypropan-2-yloxy)-2-methylpropane?
The canonical SMILES for 1-chloro-3-iodo-2-(1-methoxypropan-2-yloxy)-2-methylpropane is COCC(C)OC(C)(CCl)CI.
What is the InChIKey of 1-chloro-3-iodo-2-(1-methoxypropan-2-yloxy)-2-methylpropane?
The InChIKey is GJCSFOHSRCBJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClIO2/c1-7(4-11-3)12-8(2,5-9)6-10/h7H,4-6H2,1-3H3.
What are the key properties of 1-chloro-3-iodo-2-(1-methoxypropan-2-yloxy)-2-methylpropane?
1-chloro-3-iodo-2-(1-methoxypropan-2-yloxy)-2-methylpropane has a molecular weight of 306.57 g/mol, XLogP of 2.47, 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-(1-methoxypropan-2-yloxy)-2-methylpropane is sourced from PubChem (CID 114774236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).