1-iodo-2-propan-2-yloxypropane

C6H13IO — CID 144952725

IUPAC1-iodo-2-propan-2-yloxypropane
SMILESCC(C)OC(C)CI
InChIInChI=1S/C6H13IO/c1-5(2)8-6(3)4-7/h5-6H,4H2,1-3H3
InChIKeyXHRNDBHHTUWWEN-UHFFFAOYSA-N
MW228.07 g/mol
LogP2.23
Rot. Bonds3

About 1-iodo-2-propan-2-yloxypropane

1-iodo-2-propan-2-yloxypropane (PubChem CID 144952725) has the molecular formula C6H13IO and a molecular weight of 228.07 g/mol. Its IUPAC name is 1-iodo-2-propan-2-yloxypropane.

Molecular Properties

Compound Name1-iodo-2-propan-2-yloxypropane
PubChem CID144952725
Molecular FormulaC6H13IO
Molecular Weight228.07 g/mol
Exact Mass228.00
IUPAC Name1-iodo-2-propan-2-yloxypropane
SMILESCC(C)OC(C)CI
InChIInChI=1S/C6H13IO/c1-5(2)8-6(3)4-7/h5-6H,4H2,1-3H3
InChIKeyXHRNDBHHTUWWEN-UHFFFAOYSA-N
XLogP2.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.07
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(4S)-2-methyl-4-propan-2-yloxypentane
CID 155647514
(2S)-N-methyl-2-propan-2-yloxypropan-1-amine
CID 94405357
2-methyl-6-propan-2-yloxyheptane
CID 158226475
2-methyl-4-propan-2-yloxypentan-2-amine
CID 126737676
2-methyl-N-(2-propan-2-yloxypropyl)propan-1-amine
CID 62444418
4-O-(1-iodopropan-2-yl) 1-O-propan-2-yl (Z)-but-2-enedioate
CID 174154485
1-ethoxy-3-propan-2-yloxybutane
CID 154176409
1,4-diiodo-2,3-dimethylbutane
CID 21200721
1-iodo-2-methylpropane;hydrofluoride
CID 174557152
N-(2-propan-2-yloxypropyl)butan-2-amine
CID 62567669
1-(2-ethoxyethoxy)-2-propan-2-yloxypropane
CID 174484893
4,4-dimethyl-2-propan-2-yloxyheptane
CID 123988910

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-propan-2-yloxypropane?
The IUPAC name of 1-iodo-2-propan-2-yloxypropane (CID 144952725) is 1-iodo-2-propan-2-yloxypropane.
What is the SMILES notation for 1-iodo-2-propan-2-yloxypropane?
The canonical SMILES for 1-iodo-2-propan-2-yloxypropane is CC(C)OC(C)CI.
What is the InChIKey of 1-iodo-2-propan-2-yloxypropane?
The InChIKey is XHRNDBHHTUWWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13IO/c1-5(2)8-6(3)4-7/h5-6H,4H2,1-3H3.
What are the key properties of 1-iodo-2-propan-2-yloxypropane?
1-iodo-2-propan-2-yloxypropane has a molecular weight of 228.07 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-propan-2-yloxypropane is sourced from PubChem (CID 144952725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).