2-[(1-iodo-2-methylpropan-2-yl)oxymethyl]oxolane

C9H17IO2 — CID 114773009

IUPAC2-[(1-iodo-2-methylpropan-2-yl)oxymethyl]oxolane
SMILESCC(C)(CI)OCC1CCCO1
InChIInChI=1S/C9H17IO2/c1-9(2,7-10)12-6-8-4-3-5-11-8/h8H,3-7H2,1-2H3
InChIKeyRKUJLYAYGHVOBT-UHFFFAOYSA-N
MW284.14 g/mol
LogP2.40
Rot. Bonds4

About 2-[(1-iodo-2-methylpropan-2-yl)oxymethyl]oxolane

2-[(1-iodo-2-methylpropan-2-yl)oxymethyl]oxolane (PubChem CID 114773009) has the molecular formula C9H17IO2 and a molecular weight of 284.14 g/mol. Its IUPAC name is 2-[(1-iodo-2-methylpropan-2-yl)oxymethyl]oxolane.

Molecular Properties

Compound Name2-[(1-iodo-2-methylpropan-2-yl)oxymethyl]oxolane
PubChem CID114773009
Molecular FormulaC9H17IO2
Molecular Weight284.14 g/mol
Exact Mass284.03
IUPAC Name2-[(1-iodo-2-methylpropan-2-yl)oxymethyl]oxolane
SMILESCC(C)(CI)OCC1CCCO1
InChIInChI=1S/C9H17IO2/c1-9(2,7-10)12-6-8-4-3-5-11-8/h8H,3-7H2,1-2H3
InChIKeyRKUJLYAYGHVOBT-UHFFFAOYSA-N
XLogP2.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 52.40
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'}

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Related Compounds

2-[(1-chloro-3-iodo-2-methylpropan-2-yl)oxymethyl]oxolane
CID 114773001
2-[(1-chloro-3-iodo-2-methylpropan-2-yl)oxymethyl]oxane
CID 114772668
tris(oxolan-2-ylmethoxy)methylsilane
CID 123161768
2-[[1-iodo-2-(4-propan-2-ylphenyl)propan-2-yl]oxymethyl]oxolane
CID 114773023
2-[Di(tert-butyl)silyloxymethyl]tetrahydrofurane
CID 6329411
2-methyl-2-(oxan-2-ylmethoxy)propanoic acid
CID 82238709
trimethyl(oxolan-2-ylmethoxy)silane
CID 551445
ethane;oxolan-2-ylmethoxythallium
CID 142985824
(2R)-2-ethyloxolane
CID 641529
2-[[4-tert-butyl-1-(iodomethyl)cyclohexyl]oxymethyl]oxolane
CID 114773000
(2R)-2-(2,2-dimethylpropyl)oxolane
CID 58780469
(2R)-2-(sulfanyloxymethyl)oxolane
CID 139553525

Frequently Asked Questions

What is the IUPAC name of 2-[(1-iodo-2-methylpropan-2-yl)oxymethyl]oxolane?
The IUPAC name of 2-[(1-iodo-2-methylpropan-2-yl)oxymethyl]oxolane (CID 114773009) is 2-[(1-iodo-2-methylpropan-2-yl)oxymethyl]oxolane.
What is the SMILES notation for 2-[(1-iodo-2-methylpropan-2-yl)oxymethyl]oxolane?
The canonical SMILES for 2-[(1-iodo-2-methylpropan-2-yl)oxymethyl]oxolane is CC(C)(CI)OCC1CCCO1.
What is the InChIKey of 2-[(1-iodo-2-methylpropan-2-yl)oxymethyl]oxolane?
The InChIKey is RKUJLYAYGHVOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17IO2/c1-9(2,7-10)12-6-8-4-3-5-11-8/h8H,3-7H2,1-2H3.
What are the key properties of 2-[(1-iodo-2-methylpropan-2-yl)oxymethyl]oxolane?
2-[(1-iodo-2-methylpropan-2-yl)oxymethyl]oxolane has a molecular weight of 284.14 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-iodo-2-methylpropan-2-yl)oxymethyl]oxolane is sourced from PubChem (CID 114773009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).