3-(iodomethyl)-3-propan-2-yloxetane

C7H13IO — CID 84701766

IUPAC3-(iodomethyl)-3-propan-2-yloxetane
SMILESCC(C)C1(CI)COC1
InChIInChI=1S/C7H13IO/c1-6(2)7(3-8)4-9-5-7/h6H,3-5H2,1-2H3
InChIKeyMKRVEJASIOVFGT-UHFFFAOYSA-N
MW240.08 g/mol
LogP2.09
Rot. Bonds2

About 3-(iodomethyl)-3-propan-2-yloxetane

3-(iodomethyl)-3-propan-2-yloxetane (PubChem CID 84701766) has the molecular formula C7H13IO and a molecular weight of 240.08 g/mol. Its IUPAC name is 3-(iodomethyl)-3-propan-2-yloxetane.

Molecular Properties

Compound Name3-(iodomethyl)-3-propan-2-yloxetane
PubChem CID84701766
Molecular FormulaC7H13IO
Molecular Weight240.08 g/mol
Exact Mass240.00
IUPAC Name3-(iodomethyl)-3-propan-2-yloxetane
SMILESCC(C)C1(CI)COC1
InChIInChI=1S/C7H13IO/c1-6(2)7(3-8)4-9-5-7/h6H,3-5H2,1-2H3
InChIKeyMKRVEJASIOVFGT-UHFFFAOYSA-N
XLogP2.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.08
LogP ≤ 52.09
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

3-Ethyl-3-(iodomethyl)oxetane
CID 23092894
3-(2-Iodoethyl)oxetane
CID 84678856
3-Tertbutyl oxetane
CID 57869404
Oxetane, 3-methyl-3-(1-methylethyl)
CID 529321
3-Ethyl-3-iodooxetane
CID 70858374
3-Tert-butyloxetane;molecular hydrogen
CID 159874653
3-(2-Iodoethyl)-3-methyloxetane
CID 53346582
1-Iodo-4-methoxy-2,2-dimethylbutane
CID 165676020

Frequently Asked Questions

What is the IUPAC name of 3-(iodomethyl)-3-propan-2-yloxetane?
The IUPAC name of 3-(iodomethyl)-3-propan-2-yloxetane (CID 84701766) is 3-(iodomethyl)-3-propan-2-yloxetane.
What is the SMILES notation for 3-(iodomethyl)-3-propan-2-yloxetane?
The canonical SMILES for 3-(iodomethyl)-3-propan-2-yloxetane is CC(C)C1(CI)COC1.
What is the InChIKey of 3-(iodomethyl)-3-propan-2-yloxetane?
The InChIKey is MKRVEJASIOVFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13IO/c1-6(2)7(3-8)4-9-5-7/h6H,3-5H2,1-2H3.
What are the key properties of 3-(iodomethyl)-3-propan-2-yloxetane?
3-(iodomethyl)-3-propan-2-yloxetane has a molecular weight of 240.08 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(iodomethyl)-3-propan-2-yloxetane is sourced from PubChem (CID 84701766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).