2-[(E,2R)-4-iodo-2-methylpent-3-enoxy]oxane

C11H19IO2 — CID 10870601

IUPAC2-[(E,2R)-4-iodo-2-methylpent-3-enoxy]oxane
SMILESC/C(I)=C\[C@@H](C)COC1CCCCO1
InChIInChI=1S/C11H19IO2/c1-9(7-10(2)12)8-14-11-5-3-4-6-13-11/h7,9,11H,3-6,8H2,1-2H3/b10-7+/t9-,11?/m1/s1
InChIKeyAMODMRVINYREJO-HJQSHLFPSA-N
MW310.18 g/mol
LogP3.50
Rot. Bonds4

About 2-[(E,2R)-4-iodo-2-methylpent-3-enoxy]oxane

2-[(E,2R)-4-iodo-2-methylpent-3-enoxy]oxane (PubChem CID 10870601) has the molecular formula C11H19IO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 2-[(E,2R)-4-iodo-2-methylpent-3-enoxy]oxane.

Molecular Properties

Compound Name2-[(E,2R)-4-iodo-2-methylpent-3-enoxy]oxane
PubChem CID10870601
Molecular FormulaC11H19IO2
Molecular Weight310.18 g/mol
Exact Mass310.04
IUPAC Name2-[(E,2R)-4-iodo-2-methylpent-3-enoxy]oxane
SMILESC/C(I)=C\[C@@H](C)COC1CCCCO1
InChIInChI=1S/C11H19IO2/c1-9(7-10(2)12)8-14-11-5-3-4-6-13-11/h7,9,11H,3-6,8H2,1-2H3/b10-7+/t9-,11?/m1/s1
InChIKeyAMODMRVINYREJO-HJQSHLFPSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(2R)-4-iodo-2-methylbutoxy]oxane
CID 11779415
7,7,7-trifluoro-2-methyl-6-(oxan-2-yloxymethyl)hept-2-en-4-ol
CID 85265507
2-(2,3,3-trimethylbutoxy)oxane
CID 145356481
hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne;2-(2-methylpropoxy)oxane
CID 159580205
1-(oxolan-2-yloxy)propan-2-ol
CID 172822303
2-(2-propylpentoxy)oxane
CID 175998246
methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate
CID 11195022
methyl (2R)-2-methyl-3-[(2R)-oxan-2-yl]oxypropanoate
CID 92975409
3-methyl-4-(oxan-2-yloxy)butanal
CID 58732523
2-[(2R)-2-methylpentoxy]oxane
CID 57327472
2-(4-bromo-2,3-dimethylbutoxy)oxane
CID 14731941
2,6-dimethyl-7-(oxan-2-yloxy)heptan-1-ol
CID 85158047

Frequently Asked Questions

What is the IUPAC name of 2-[(E,2R)-4-iodo-2-methylpent-3-enoxy]oxane?
The IUPAC name of 2-[(E,2R)-4-iodo-2-methylpent-3-enoxy]oxane (CID 10870601) is 2-[(E,2R)-4-iodo-2-methylpent-3-enoxy]oxane.
What is the SMILES notation for 2-[(E,2R)-4-iodo-2-methylpent-3-enoxy]oxane?
The canonical SMILES for 2-[(E,2R)-4-iodo-2-methylpent-3-enoxy]oxane is C/C(I)=C\[C@@H](C)COC1CCCCO1.
What is the InChIKey of 2-[(E,2R)-4-iodo-2-methylpent-3-enoxy]oxane?
The InChIKey is AMODMRVINYREJO-HJQSHLFPSA-N. The full InChI is InChI=1S/C11H19IO2/c1-9(7-10(2)12)8-14-11-5-3-4-6-13-11/h7,9,11H,3-6,8H2,1-2H3/b10-7+/t9-,11?/m1/s1.
What are the key properties of 2-[(E,2R)-4-iodo-2-methylpent-3-enoxy]oxane?
2-[(E,2R)-4-iodo-2-methylpent-3-enoxy]oxane has a molecular weight of 310.18 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E,2R)-4-iodo-2-methylpent-3-enoxy]oxane is sourced from PubChem (CID 10870601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).