2-[(1-chloro-3-iodo-2-methylpropan-2-yl)oxymethyl]oxane

C10H18ClIO2 — CID 114772668

IUPAC2-[(1-chloro-3-iodo-2-methylpropan-2-yl)oxymethyl]oxane
SMILESCC(CCl)(CI)OCC1CCCCO1
InChIInChI=1S/C10H18ClIO2/c1-10(7-11,8-12)14-6-9-4-2-3-5-13-9/h9H,2-8H2,1H3
InChIKeyMUQNFLXMYJUMLL-UHFFFAOYSA-N
MW332.61 g/mol
LogP3.00
Rot. Bonds5

About 2-[(1-chloro-3-iodo-2-methylpropan-2-yl)oxymethyl]oxane

2-[(1-chloro-3-iodo-2-methylpropan-2-yl)oxymethyl]oxane (PubChem CID 114772668) has the molecular formula C10H18ClIO2 and a molecular weight of 332.61 g/mol. Its IUPAC name is 2-[(1-chloro-3-iodo-2-methylpropan-2-yl)oxymethyl]oxane.

Molecular Properties

Compound Name2-[(1-chloro-3-iodo-2-methylpropan-2-yl)oxymethyl]oxane
PubChem CID114772668
Molecular FormulaC10H18ClIO2
Molecular Weight332.61 g/mol
Exact Mass332.00
IUPAC Name2-[(1-chloro-3-iodo-2-methylpropan-2-yl)oxymethyl]oxane
SMILESCC(CCl)(CI)OCC1CCCCO1
InChIInChI=1S/C10H18ClIO2/c1-10(7-11,8-12)14-6-9-4-2-3-5-13-9/h9H,2-8H2,1H3
InChIKeyMUQNFLXMYJUMLL-UHFFFAOYSA-N
XLogP3.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.61
LogP ≤ 53.00
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-iodo-2-methylpropan-2-yl)oxymethyl]oxolane
CID 114773009
2-methyl-2-(oxan-2-ylmethoxy)propanoic acid
CID 82238709
(1-chloro-3-iodo-2-methylpropan-2-yl)oxycyclohexane
CID 165477042
tris(oxolan-2-ylmethoxy)methylsilane
CID 123161768
2-[[1-iodo-2-(4-propan-2-ylphenyl)propan-2-yl]oxymethyl]oxolane
CID 114773023
2-(3-chloro-2,2-dimethylpropyl)oxolane
CID 66059944
2-[Di(tert-butyl)silyloxymethyl]tetrahydrofurane
CID 6329411
ethyl 2,2-difluoro-2-(oxan-2-ylmethoxy)acetate
CID 66455223
oxolan-2-ylmethyl hypochlorite
CID 22491519
2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane
CID 58879072
[(2R)-oxan-2-yl]methyl methanesulfonate
CID 86621777

Frequently Asked Questions

What is the IUPAC name of 2-[(1-chloro-3-iodo-2-methylpropan-2-yl)oxymethyl]oxane?
The IUPAC name of 2-[(1-chloro-3-iodo-2-methylpropan-2-yl)oxymethyl]oxane (CID 114772668) is 2-[(1-chloro-3-iodo-2-methylpropan-2-yl)oxymethyl]oxane.
What is the SMILES notation for 2-[(1-chloro-3-iodo-2-methylpropan-2-yl)oxymethyl]oxane?
The canonical SMILES for 2-[(1-chloro-3-iodo-2-methylpropan-2-yl)oxymethyl]oxane is CC(CCl)(CI)OCC1CCCCO1.
What is the InChIKey of 2-[(1-chloro-3-iodo-2-methylpropan-2-yl)oxymethyl]oxane?
The InChIKey is MUQNFLXMYJUMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClIO2/c1-10(7-11,8-12)14-6-9-4-2-3-5-13-9/h9H,2-8H2,1H3.
What are the key properties of 2-[(1-chloro-3-iodo-2-methylpropan-2-yl)oxymethyl]oxane?
2-[(1-chloro-3-iodo-2-methylpropan-2-yl)oxymethyl]oxane has a molecular weight of 332.61 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-chloro-3-iodo-2-methylpropan-2-yl)oxymethyl]oxane is sourced from PubChem (CID 114772668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).