2-[(Z)-2-iodo-4-(methoxymethoxy)but-2-enoxy]oxane

C11H19IO4 — CID 121006090

IUPAC2-[(Z)-2-iodo-4-(methoxymethoxy)but-2-enoxy]oxane
SMILESCOCOC/C=C(\I)COC1CCCCO1
InChIInChI=1S/C11H19IO4/c1-13-9-14-7-5-10(12)8-16-11-4-2-3-6-15-11/h5,11H,2-4,6-9H2,1H3/b10-5-
InChIKeyJHKJDIUSHFIQAI-YHYXMXQVSA-N
MW342.17 g/mol
LogP2.47
Rot. Bonds7

About 2-[(Z)-2-iodo-4-(methoxymethoxy)but-2-enoxy]oxane

2-[(Z)-2-iodo-4-(methoxymethoxy)but-2-enoxy]oxane (PubChem CID 121006090) has the molecular formula C11H19IO4 and a molecular weight of 342.17 g/mol. Its IUPAC name is 2-[(Z)-2-iodo-4-(methoxymethoxy)but-2-enoxy]oxane.

Molecular Properties

Compound Name2-[(Z)-2-iodo-4-(methoxymethoxy)but-2-enoxy]oxane
PubChem CID121006090
Molecular FormulaC11H19IO4
Molecular Weight342.17 g/mol
Exact Mass342.03
IUPAC Name2-[(Z)-2-iodo-4-(methoxymethoxy)but-2-enoxy]oxane
SMILESCOCOC/C=C(\I)COC1CCCCO1
InChIInChI=1S/C11H19IO4/c1-13-9-14-7-5-10(12)8-16-11-4-2-3-6-15-11/h5,11H,2-4,6-9H2,1H3/b10-5-
InChIKeyJHKJDIUSHFIQAI-YHYXMXQVSA-N
XLogP2.47
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.17
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-[(Z)-2-iodo-4-(methoxymethoxy)but-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-[(E)-3-iodoprop-2-enoxy]oxane
CID 11832382
2-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103519
(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-fluorobut-2-enoxy]oxane
CID 90381677
2-[(E)-3-fluorobut-2-enoxy]oxane
CID 90381688
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
2-[(Z)-4-iodobut-2-enoxy]oxane
CID 11335032
(2S,3R)-3-iodo-2-(3-methylbut-2-enoxy)oxane
CID 11609054

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-iodo-4-(methoxymethoxy)but-2-enoxy]oxane?
The IUPAC name of 2-[(Z)-2-iodo-4-(methoxymethoxy)but-2-enoxy]oxane (CID 121006090) is 2-[(Z)-2-iodo-4-(methoxymethoxy)but-2-enoxy]oxane.
What is the SMILES notation for 2-[(Z)-2-iodo-4-(methoxymethoxy)but-2-enoxy]oxane?
The canonical SMILES for 2-[(Z)-2-iodo-4-(methoxymethoxy)but-2-enoxy]oxane is COCOC/C=C(\I)COC1CCCCO1.
What is the InChIKey of 2-[(Z)-2-iodo-4-(methoxymethoxy)but-2-enoxy]oxane?
The InChIKey is JHKJDIUSHFIQAI-YHYXMXQVSA-N. The full InChI is InChI=1S/C11H19IO4/c1-13-9-14-7-5-10(12)8-16-11-4-2-3-6-15-11/h5,11H,2-4,6-9H2,1H3/b10-5-.
What are the key properties of 2-[(Z)-2-iodo-4-(methoxymethoxy)but-2-enoxy]oxane?
2-[(Z)-2-iodo-4-(methoxymethoxy)but-2-enoxy]oxane has a molecular weight of 342.17 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-iodo-4-(methoxymethoxy)but-2-enoxy]oxane is sourced from PubChem (CID 121006090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).