2-[(2R)-4-iodo-2-methylbutoxy]oxane

C10H19IO2 — CID 11779415

IUPAC2-[(2R)-4-iodo-2-methylbutoxy]oxane
SMILESC[C@H](CCI)COC1CCCCO1
InChIInChI=1S/C10H19IO2/c1-9(5-6-11)8-13-10-4-2-3-7-12-10/h9-10H,2-8H2,1H3/t9-,10?/m1/s1
InChIKeyNRNSKDKILDPIMO-YHMJZVADSA-N
MW298.16 g/mol
LogP2.99
Rot. Bonds5

About 2-[(2R)-4-iodo-2-methylbutoxy]oxane

2-[(2R)-4-iodo-2-methylbutoxy]oxane (PubChem CID 11779415) has the molecular formula C10H19IO2 and a molecular weight of 298.16 g/mol. Its IUPAC name is 2-[(2R)-4-iodo-2-methylbutoxy]oxane.

Molecular Properties

Compound Name2-[(2R)-4-iodo-2-methylbutoxy]oxane
PubChem CID11779415
Molecular FormulaC10H19IO2
Molecular Weight298.16 g/mol
Exact Mass298.04
IUPAC Name2-[(2R)-4-iodo-2-methylbutoxy]oxane
SMILESC[C@H](CCI)COC1CCCCO1
InChIInChI=1S/C10H19IO2/c1-9(5-6-11)8-13-10-4-2-3-7-12-10/h9-10H,2-8H2,1H3/t9-,10?/m1/s1
InChIKeyNRNSKDKILDPIMO-YHMJZVADSA-N
XLogP2.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 52.99
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'}

Analyze 2-[(2R)-4-iodo-2-methylbutoxy]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-[(2R)-2-methylpentoxy]oxane
CID 57327472
2,6-dimethyl-7-(oxan-2-yloxy)heptan-1-ol
CID 85158047
4-amino-2-methylbutan-1-ol;3-methyl-4-(oxan-2-yloxy)butan-1-amine
CID 159084006
(6S)-6-methyl-7-(oxan-2-yloxy)heptan-2-one
CID 11622725
2-(2-methylpent-4-ynoxy)oxane
CID 143125735
hydrazine;2-[(2R)-2-methylbutoxy]oxane;(3R)-3-methyl-4-(oxan-2-yloxy)butan-1-amine;hydrate
CID 158281779
3-methyl-4-(oxan-2-yloxy)butanal
CID 58732523
2-(2,3,3-trimethylbutoxy)oxane
CID 145356481
[(2S,3S)-3-methyl-2-[(3R)-3-methyl-4-(oxan-2-yloxy)butyl]oxiran-2-yl]methanol
CID 10400301
2-(2-propylpentoxy)oxane
CID 175998246
2-[(3S,7R)-3,7,11-trimethyldodecoxy]oxane
CID 70570325
2-[(E,2R)-4-iodo-2-methylpent-3-enoxy]oxane
CID 10870601

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-iodo-2-methylbutoxy]oxane?
The IUPAC name of 2-[(2R)-4-iodo-2-methylbutoxy]oxane (CID 11779415) is 2-[(2R)-4-iodo-2-methylbutoxy]oxane.
What is the SMILES notation for 2-[(2R)-4-iodo-2-methylbutoxy]oxane?
The canonical SMILES for 2-[(2R)-4-iodo-2-methylbutoxy]oxane is C[C@H](CCI)COC1CCCCO1.
What is the InChIKey of 2-[(2R)-4-iodo-2-methylbutoxy]oxane?
The InChIKey is NRNSKDKILDPIMO-YHMJZVADSA-N. The full InChI is InChI=1S/C10H19IO2/c1-9(5-6-11)8-13-10-4-2-3-7-12-10/h9-10H,2-8H2,1H3/t9-,10?/m1/s1.
What are the key properties of 2-[(2R)-4-iodo-2-methylbutoxy]oxane?
2-[(2R)-4-iodo-2-methylbutoxy]oxane has a molecular weight of 298.16 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-iodo-2-methylbutoxy]oxane is sourced from PubChem (CID 11779415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).