6-(iodomethyl)-2-methyl-2-(oxolan-2-yl)oxane

C11H19IO2 — CID 130583331

IUPAC6-(iodomethyl)-2-methyl-2-(oxolan-2-yl)oxane
SMILESCC1(C2CCCO2)CCCC(CI)O1
InChIInChI=1S/C11H19IO2/c1-11(10-5-3-7-13-10)6-2-4-9(8-12)14-11/h9-10H,2-8H2,1H3
InChIKeyISUUPDFVIZZGDI-UHFFFAOYSA-N
MW310.18 g/mol
LogP2.93
Rot. Bonds2

About 6-(iodomethyl)-2-methyl-2-(oxolan-2-yl)oxane

6-(iodomethyl)-2-methyl-2-(oxolan-2-yl)oxane (PubChem CID 130583331) has the molecular formula C11H19IO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 6-(iodomethyl)-2-methyl-2-(oxolan-2-yl)oxane.

Molecular Properties

Compound Name6-(iodomethyl)-2-methyl-2-(oxolan-2-yl)oxane
PubChem CID130583331
Molecular FormulaC11H19IO2
Molecular Weight310.18 g/mol
Exact Mass310.04
IUPAC Name6-(iodomethyl)-2-methyl-2-(oxolan-2-yl)oxane
SMILESCC1(C2CCCO2)CCCC(CI)O1
InChIInChI=1S/C11H19IO2/c1-11(10-5-3-7-13-10)6-2-4-9(8-12)14-11/h9-10H,2-8H2,1H3
InChIKeyISUUPDFVIZZGDI-UHFFFAOYSA-N
XLogP2.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 52.93
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-cyclopropyl-6-(iodomethyl)-2-methyloxane
CID 130582963
(2R)-2,9-bis(iodomethyl)-1,10-dioxaspiro[4.5]decane
CID 135041897
2-(1-methylcyclohexyl)oxolane
CID 23594551
6-(bromomethyl)-2-cyclopropyl-2-methyloxane
CID 126983630
[2-methyl-2-(oxolan-2-yl)-1,3-dioxolan-4-yl]methanol
CID 117168913
4-chloro-2-methyl-2-(oxolan-2-yl)oxane
CID 130577734
[4-(oxolan-2-yl)oxan-4-yl]methanamine
CID 165486804
5-(iodomethyl)-2-methyl-2-(2-methylpropyl)oxolane
CID 130582685
2-(bromomethyl)-2-(oxolan-2-yl)oxolane
CID 165443348
(2R)-2-ethyloxolane
CID 641529
(6R)-6-(iodomethyl)-5-oxaspiro[2.4]heptane
CID 125455243
N-[(1-methylcyclopentyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 65163534

Frequently Asked Questions

What is the IUPAC name of 6-(iodomethyl)-2-methyl-2-(oxolan-2-yl)oxane?
The IUPAC name of 6-(iodomethyl)-2-methyl-2-(oxolan-2-yl)oxane (CID 130583331) is 6-(iodomethyl)-2-methyl-2-(oxolan-2-yl)oxane.
What is the SMILES notation for 6-(iodomethyl)-2-methyl-2-(oxolan-2-yl)oxane?
The canonical SMILES for 6-(iodomethyl)-2-methyl-2-(oxolan-2-yl)oxane is CC1(C2CCCO2)CCCC(CI)O1.
What is the InChIKey of 6-(iodomethyl)-2-methyl-2-(oxolan-2-yl)oxane?
The InChIKey is ISUUPDFVIZZGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19IO2/c1-11(10-5-3-7-13-10)6-2-4-9(8-12)14-11/h9-10H,2-8H2,1H3.
What are the key properties of 6-(iodomethyl)-2-methyl-2-(oxolan-2-yl)oxane?
6-(iodomethyl)-2-methyl-2-(oxolan-2-yl)oxane has a molecular weight of 310.18 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(iodomethyl)-2-methyl-2-(oxolan-2-yl)oxane is sourced from PubChem (CID 130583331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).