3-iodo-2-(3-methylbut-2-enoxy)oxane

C10H17IO2 — CID 10891766

IUPAC3-iodo-2-(3-methylbut-2-enoxy)oxane
SMILESCC(C)=CCOC1OCCCC1I
InChIInChI=1S/C10H17IO2/c1-8(2)5-7-13-10-9(11)4-3-6-12-10/h5,9-10H,3-4,6-7H2,1-2H3
InChIKeySYCVOEGXPIEJJD-UHFFFAOYSA-N
MW296.15 g/mol
LogP2.91
Rot. Bonds3

About 3-iodo-2-(3-methylbut-2-enoxy)oxane

3-iodo-2-(3-methylbut-2-enoxy)oxane (PubChem CID 10891766) has the molecular formula C10H17IO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is 3-iodo-2-(3-methylbut-2-enoxy)oxane.

Molecular Properties

Compound Name3-iodo-2-(3-methylbut-2-enoxy)oxane
PubChem CID10891766
Molecular FormulaC10H17IO2
Molecular Weight296.15 g/mol
Exact Mass296.03
IUPAC Name3-iodo-2-(3-methylbut-2-enoxy)oxane
SMILESCC(C)=CCOC1OCCCC1I
InChIInChI=1S/C10H17IO2/c1-8(2)5-7-13-10-9(11)4-3-6-12-10/h5,9-10H,3-4,6-7H2,1-2H3
InChIKeySYCVOEGXPIEJJD-UHFFFAOYSA-N
XLogP2.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-iodo-2-(3-methylbut-2-enoxy)oxane 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-((2-Methyl-2-propenyl)oxy)tetrahydro-2H-pyran
CID 376761
2-[(E)-3-iodoprop-2-enoxy]oxane
CID 11832382
(2R,3S)-3-iodo-2-prop-2-enoxyoxane
CID 15808097
2-[(E)-but-2-enoxy]oxane
CID 11788432
2-[(E)-2-methylbut-2-enoxy]tetrahydropyran
CID 12623536
(E)-3-Methyl-4-((tetrahydro-2H-pyran-2-yl)oxy)but-2-en-1-ol
CID 10655148
2-[(Z)-3-methylpent-2-en-4-ynoxy]oxane
CID 11063007
2-[(E)-3-methylpent-2-en-4-ynoxy]oxane
CID 14733015
2-[(E)-2-methylpent-2-en-4-ynoxy]oxane
CID 10583524
2-(2-Iodoprop-2-enoxy)oxane
CID 10923525
2-[(E)-3-iodo-2-methylprop-2-enoxy]oxane
CID 10945899
1-(1-Butoxy-2-iodoethoxy)-3-methylbut-2-ene
CID 10968977

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-(3-methylbut-2-enoxy)oxane?
The IUPAC name of 3-iodo-2-(3-methylbut-2-enoxy)oxane (CID 10891766) is 3-iodo-2-(3-methylbut-2-enoxy)oxane.
What is the SMILES notation for 3-iodo-2-(3-methylbut-2-enoxy)oxane?
The canonical SMILES for 3-iodo-2-(3-methylbut-2-enoxy)oxane is CC(C)=CCOC1OCCCC1I.
What is the InChIKey of 3-iodo-2-(3-methylbut-2-enoxy)oxane?
The InChIKey is SYCVOEGXPIEJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17IO2/c1-8(2)5-7-13-10-9(11)4-3-6-12-10/h5,9-10H,3-4,6-7H2,1-2H3.
What are the key properties of 3-iodo-2-(3-methylbut-2-enoxy)oxane?
3-iodo-2-(3-methylbut-2-enoxy)oxane has a molecular weight of 296.15 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2-(3-methylbut-2-enoxy)oxane is sourced from PubChem (CID 10891766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).