1-(1-iodopropoxy)-2-methylpropane

C7H15IO — CID 139652080

IUPAC1-(1-iodopropoxy)-2-methylpropane
SMILESCCC(I)OCC(C)C
InChIInChI=1S/C7H15IO/c1-4-7(8)9-5-6(2)3/h6-7H,4-5H2,1-3H3
InChIKeyPJAPSQGEMQWDHG-UHFFFAOYSA-N
MW242.10 g/mol
LogP2.83
Rot. Bonds4

About 1-(1-iodopropoxy)-2-methylpropane

1-(1-iodopropoxy)-2-methylpropane (PubChem CID 139652080) has the molecular formula C7H15IO and a molecular weight of 242.10 g/mol. Its IUPAC name is 1-(1-iodopropoxy)-2-methylpropane.

Molecular Properties

Compound Name1-(1-iodopropoxy)-2-methylpropane
PubChem CID139652080
Molecular FormulaC7H15IO
Molecular Weight242.10 g/mol
Exact Mass242.02
IUPAC Name1-(1-iodopropoxy)-2-methylpropane
SMILESCCC(I)OCC(C)C
InChIInChI=1S/C7H15IO/c1-4-7(8)9-5-6(2)3/h6-7H,4-5H2,1-3H3
InChIKeyPJAPSQGEMQWDHG-UHFFFAOYSA-N
XLogP2.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.10
LogP ≤ 52.83
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'}

Analyze 1-(1-iodopropoxy)-2-methylpropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Ethoxy-2-methylpropane
CID 69386
1-Iodo-3-methoxypropane
CID 13522989
2-(2-Iodoethoxy)-2-methylpropane
CID 11107093
1-Ethoxy-3-iodopropane
CID 12841433
2-Iodo-1-methoxypropane
CID 54006994
1-Ethoxy-2-iodoethane
CID 13869709
1-(2-Iodoethoxy)-butane
CID 21522244
Jodather
CID 18791944
Ethyl 2-iodopropyl ether
CID 59112647
1-(1-Iodoethoxy)-2-methylpropane
CID 71330818
CID 162418798
CID 162418798
1-Iodo-2-propoxy-ethane
CID 14625508

Frequently Asked Questions

What is the IUPAC name of 1-(1-iodopropoxy)-2-methylpropane?
The IUPAC name of 1-(1-iodopropoxy)-2-methylpropane (CID 139652080) is 1-(1-iodopropoxy)-2-methylpropane.
What is the SMILES notation for 1-(1-iodopropoxy)-2-methylpropane?
The canonical SMILES for 1-(1-iodopropoxy)-2-methylpropane is CCC(I)OCC(C)C.
What is the InChIKey of 1-(1-iodopropoxy)-2-methylpropane?
The InChIKey is PJAPSQGEMQWDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15IO/c1-4-7(8)9-5-6(2)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-(1-iodopropoxy)-2-methylpropane?
1-(1-iodopropoxy)-2-methylpropane has a molecular weight of 242.10 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-iodopropoxy)-2-methylpropane is sourced from PubChem (CID 139652080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).