(2R,3R)-2-tert-butyl-3-iodo-2-phenyloxolane

C14H19IO — CID 53242306

IUPAC(2R,3R)-2-tert-butyl-3-iodo-2-phenyloxolane
SMILESCC(C)(C)[C@]1(c2ccccc2)OCC[C@H]1I
InChIInChI=1S/C14H19IO/c1-13(2,3)14(12(15)9-10-16-14)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/t12-,14-/m1/s1
InChIKeyWJGJPSDOAHVRRP-TZMCWYRMSA-N
MW330.21 g/mol
LogP4.15
Rot. Bonds1

About (2R,3R)-2-tert-butyl-3-iodo-2-phenyloxolane

(2R,3R)-2-tert-butyl-3-iodo-2-phenyloxolane (PubChem CID 53242306) has the molecular formula C14H19IO and a molecular weight of 330.21 g/mol. Its IUPAC name is (2R,3R)-2-tert-butyl-3-iodo-2-phenyloxolane.

Molecular Properties

Compound Name(2R,3R)-2-tert-butyl-3-iodo-2-phenyloxolane
PubChem CID53242306
Molecular FormulaC14H19IO
Molecular Weight330.21 g/mol
Exact Mass330.05
IUPAC Name(2R,3R)-2-tert-butyl-3-iodo-2-phenyloxolane
SMILESCC(C)(C)[C@]1(c2ccccc2)OCC[C@H]1I
InChIInChI=1S/C14H19IO/c1-13(2,3)14(12(15)9-10-16-14)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/t12-,14-/m1/s1
InChIKeyWJGJPSDOAHVRRP-TZMCWYRMSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-diphenyl-2-(trifluoromethyl)oxolane
CID 123227157
2-tert-butyl-2-phenyl-1,3-dioxane-4-carboxylic acid
CID 174209977
(2S,3R)-3-fluoro-2-[(2R,3S)-3-fluoro-2-phenyloxolan-2-yl]peroxy-2-phenyloxolane
CID 102315051
(3R)-2,2-diphenyloxolan-3-ol
CID 125490634
1-(2,2-diphenyloxolan-3-yl)ethanamine
CID 126485677
(2,2-diphenyloxolan-3-yl)methyl-dimethylazanium
CID 171736715
3-iodo-1-methyl-2,2-diphenylazetidine
CID 174574299
4,10-diphenyl-1,5,7,11-tetraoxaspiro[5.5]undecane
CID 18766936
(2S)-2-methyl-2-phenyloxirane
CID 11629614
[(3R)-2,2-diphenyloxolan-3-yl]methyl-hydroxy-dimethylazanium
CID 174262060
(2R)-2-iodo-1-phenylcyclopentan-1-amine
CID 54205127
1-phenyl-2-oxabicyclo[4.1.0]heptane
CID 154332997

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-tert-butyl-3-iodo-2-phenyloxolane?
The IUPAC name of (2R,3R)-2-tert-butyl-3-iodo-2-phenyloxolane (CID 53242306) is (2R,3R)-2-tert-butyl-3-iodo-2-phenyloxolane.
What is the SMILES notation for (2R,3R)-2-tert-butyl-3-iodo-2-phenyloxolane?
The canonical SMILES for (2R,3R)-2-tert-butyl-3-iodo-2-phenyloxolane is CC(C)(C)[C@]1(c2ccccc2)OCC[C@H]1I.
What is the InChIKey of (2R,3R)-2-tert-butyl-3-iodo-2-phenyloxolane?
The InChIKey is WJGJPSDOAHVRRP-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H19IO/c1-13(2,3)14(12(15)9-10-16-14)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/t12-,14-/m1/s1.
What are the key properties of (2R,3R)-2-tert-butyl-3-iodo-2-phenyloxolane?
(2R,3R)-2-tert-butyl-3-iodo-2-phenyloxolane has a molecular weight of 330.21 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-tert-butyl-3-iodo-2-phenyloxolane is sourced from PubChem (CID 53242306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).