5-but-3-enyl-3-iodo-2-methyloxolane;methane

C10H19IO — CID 144952754

IUPAC5-but-3-enyl-3-iodo-2-methyloxolane;methane
SMILESC.C=CCCC1CC(I)C(C)O1
InChIInChI=1S/C9H15IO.CH4/c1-3-4-5-8-6-9(10)7(2)11-8;/h3,7-9H,1,4-6H2,2H3;1H4
InChIKeyPLFKMXBQGYFZIS-UHFFFAOYSA-N
MW282.17 g/mol
LogP3.57
Rot. Bonds3

About 5-but-3-enyl-3-iodo-2-methyloxolane;methane

5-but-3-enyl-3-iodo-2-methyloxolane;methane (PubChem CID 144952754) has the molecular formula C10H19IO and a molecular weight of 282.17 g/mol. Its IUPAC name is 5-but-3-enyl-3-iodo-2-methyloxolane;methane.

Molecular Properties

Compound Name5-but-3-enyl-3-iodo-2-methyloxolane;methane
PubChem CID144952754
Molecular FormulaC10H19IO
Molecular Weight282.17 g/mol
Exact Mass282.05
IUPAC Name5-but-3-enyl-3-iodo-2-methyloxolane;methane
SMILESC.C=CCCC1CC(I)C(C)O1
InChIInChI=1S/C9H15IO.CH4/c1-3-4-5-8-6-9(10)7(2)11-8;/h3,7-9H,1,4-6H2,2H3;1H4
InChIKeyPLFKMXBQGYFZIS-UHFFFAOYSA-N
XLogP3.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 53.57
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-but-3-enyl-3-iodo-2-methyloxolane;methane 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

4-but-3-enyl-1,2-dimethylcyclohexane
CID 59938338
1-but-3-enyl-3-methyl-2,3,3a,7a-tetrahydro-1H-indene
CID 148825764
1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane
CID 20683482
1-but-3-enyl-4-(4-iodocyclohexyl)cyclohexane
CID 89089631
1-but-3-enyl-4-(3-propylcyclopentyl)cyclohexane
CID 58555570
2-methyl-4-[2-[(4-methyloxetan-2-yl)methyl]-2-pent-4-enylhept-6-enyl]oxetane
CID 169080800
but-3-enylcyclododecane
CID 54074675
(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine
CID 59552180
5-but-3-enyl-6-methylbicyclo[2.2.1]hept-2-ene
CID 123797135
1-hept-6-enyl-2-methylcyclopropane
CID 173435443
1-but-3-enyl-3-chlorocyclopentane
CID 64515663
(5S)-5-but-3-enyl-1,3-oxazolidin-2-one
CID 89405758

Frequently Asked Questions

What is the IUPAC name of 5-but-3-enyl-3-iodo-2-methyloxolane;methane?
The IUPAC name of 5-but-3-enyl-3-iodo-2-methyloxolane;methane (CID 144952754) is 5-but-3-enyl-3-iodo-2-methyloxolane;methane.
What is the SMILES notation for 5-but-3-enyl-3-iodo-2-methyloxolane;methane?
The canonical SMILES for 5-but-3-enyl-3-iodo-2-methyloxolane;methane is C.C=CCCC1CC(I)C(C)O1.
What is the InChIKey of 5-but-3-enyl-3-iodo-2-methyloxolane;methane?
The InChIKey is PLFKMXBQGYFZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15IO.CH4/c1-3-4-5-8-6-9(10)7(2)11-8;/h3,7-9H,1,4-6H2,2H3;1H4.
What are the key properties of 5-but-3-enyl-3-iodo-2-methyloxolane;methane?
5-but-3-enyl-3-iodo-2-methyloxolane;methane has a molecular weight of 282.17 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-enyl-3-iodo-2-methyloxolane;methane is sourced from PubChem (CID 144952754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).