2-[(E)-4-iodo-3-methylbut-2-enoxy]oxane

C10H17IO2 — CID 11066366

IUPAC2-[(E)-4-iodo-3-methylbut-2-enoxy]oxane
SMILESC/C(=C\COC1CCCCO1)CI
InChIInChI=1S/C10H17IO2/c1-9(8-11)5-7-13-10-4-2-3-6-12-10/h5,10H,2-4,6-8H2,1H3/b9-5+
InChIKeyVZIMUJNFAOKGLC-WEVVVXLNSA-N
MW296.15 g/mol
LogP2.91
Rot. Bonds4

About 2-[(E)-4-iodo-3-methylbut-2-enoxy]oxane

2-[(E)-4-iodo-3-methylbut-2-enoxy]oxane (PubChem CID 11066366) has the molecular formula C10H17IO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is 2-[(E)-4-iodo-3-methylbut-2-enoxy]oxane.

Molecular Properties

Compound Name2-[(E)-4-iodo-3-methylbut-2-enoxy]oxane
PubChem CID11066366
Molecular FormulaC10H17IO2
Molecular Weight296.15 g/mol
Exact Mass296.03
IUPAC Name2-[(E)-4-iodo-3-methylbut-2-enoxy]oxane
SMILESC/C(=C\COC1CCCCO1)CI
InChIInChI=1S/C10H17IO2/c1-9(8-11)5-7-13-10-4-2-3-6-12-10/h5,10H,2-4,6-8H2,1H3/b9-5+
InChIKeyVZIMUJNFAOKGLC-WEVVVXLNSA-N
XLogP2.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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'}

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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
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
3-Iodo-2-(3-methylbut-2-enoxy)oxane
CID 10891766
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 2-[(E)-4-iodo-3-methylbut-2-enoxy]oxane?
The IUPAC name of 2-[(E)-4-iodo-3-methylbut-2-enoxy]oxane (CID 11066366) is 2-[(E)-4-iodo-3-methylbut-2-enoxy]oxane.
What is the SMILES notation for 2-[(E)-4-iodo-3-methylbut-2-enoxy]oxane?
The canonical SMILES for 2-[(E)-4-iodo-3-methylbut-2-enoxy]oxane is C/C(=C\COC1CCCCO1)CI.
What is the InChIKey of 2-[(E)-4-iodo-3-methylbut-2-enoxy]oxane?
The InChIKey is VZIMUJNFAOKGLC-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H17IO2/c1-9(8-11)5-7-13-10-4-2-3-6-12-10/h5,10H,2-4,6-8H2,1H3/b9-5+.
What are the key properties of 2-[(E)-4-iodo-3-methylbut-2-enoxy]oxane?
2-[(E)-4-iodo-3-methylbut-2-enoxy]oxane has a molecular weight of 296.15 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4-iodo-3-methylbut-2-enoxy]oxane is sourced from PubChem (CID 11066366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).