2-(4-iodobutoxymethyl)oxirane

C7H13IO2 — CID 86146091

IUPAC2-(4-iodobutoxymethyl)oxirane
SMILESICCCCOCC1CO1
InChIInChI=1S/C7H13IO2/c8-3-1-2-4-9-5-7-6-10-7/h7H,1-6H2
InChIKeyPVLCFHNDXLLAOB-UHFFFAOYSA-N
MW256.08 g/mol
LogP1.62
Rot. Bonds6

About 2-(4-iodobutoxymethyl)oxirane

2-(4-iodobutoxymethyl)oxirane (PubChem CID 86146091) has the molecular formula C7H13IO2 and a molecular weight of 256.08 g/mol. Its IUPAC name is 2-(4-iodobutoxymethyl)oxirane.

Molecular Properties

Compound Name2-(4-iodobutoxymethyl)oxirane
PubChem CID86146091
Molecular FormulaC7H13IO2
Molecular Weight256.08 g/mol
Exact Mass256.00
IUPAC Name2-(4-iodobutoxymethyl)oxirane
SMILESICCCCOCC1CO1
InChIInChI=1S/C7H13IO2/c8-3-1-2-4-9-5-7-6-10-7/h7H,1-6H2
InChIKeyPVLCFHNDXLLAOB-UHFFFAOYSA-N
XLogP1.62
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.08
LogP ≤ 51.62
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-(4-iodobutoxymethyl)oxirane 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

2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
2-(4-methoxybutoxymethyl)oxirane
CID 58151519
2-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxymethyl]oxirane
CID 91036446
2-(pentoxymethyl)oxirane
CID 160890113
2-[12-(oxiran-2-yl)dodecoxymethyl]oxirane
CID 141065543
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
2-[[9-(oxiran-2-ylmethoxy)-5,5-bis[4-(oxiran-2-ylmethoxy)butyl]nonoxy]methyl]oxirane
CID 150577624
10-(oxiran-2-ylmethoxy)decan-1-ol
CID 141116749
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodobutoxymethyl)oxirane?
The IUPAC name of 2-(4-iodobutoxymethyl)oxirane (CID 86146091) is 2-(4-iodobutoxymethyl)oxirane.
What is the SMILES notation for 2-(4-iodobutoxymethyl)oxirane?
The canonical SMILES for 2-(4-iodobutoxymethyl)oxirane is ICCCCOCC1CO1.
What is the InChIKey of 2-(4-iodobutoxymethyl)oxirane?
The InChIKey is PVLCFHNDXLLAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13IO2/c8-3-1-2-4-9-5-7-6-10-7/h7H,1-6H2.
What are the key properties of 2-(4-iodobutoxymethyl)oxirane?
2-(4-iodobutoxymethyl)oxirane has a molecular weight of 256.08 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodobutoxymethyl)oxirane is sourced from PubChem (CID 86146091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).