5-(iodomethyl)-2-methyl-2-(2-methylpropyl)oxolane

C10H19IO — CID 130582685

IUPAC5-(iodomethyl)-2-methyl-2-(2-methylpropyl)oxolane
SMILESCC(C)CC1(C)CCC(CI)O1
InChIInChI=1S/C10H19IO/c1-8(2)6-10(3)5-4-9(7-11)12-10/h8-9H,4-7H2,1-3H3
InChIKeyITOABPYTUQDBGB-UHFFFAOYSA-N
MW282.16 g/mol
LogP3.41
Rot. Bonds3

About 5-(iodomethyl)-2-methyl-2-(2-methylpropyl)oxolane

5-(iodomethyl)-2-methyl-2-(2-methylpropyl)oxolane (PubChem CID 130582685) has the molecular formula C10H19IO and a molecular weight of 282.16 g/mol. Its IUPAC name is 5-(iodomethyl)-2-methyl-2-(2-methylpropyl)oxolane.

Molecular Properties

Compound Name5-(iodomethyl)-2-methyl-2-(2-methylpropyl)oxolane
PubChem CID130582685
Molecular FormulaC10H19IO
Molecular Weight282.16 g/mol
Exact Mass282.05
IUPAC Name5-(iodomethyl)-2-methyl-2-(2-methylpropyl)oxolane
SMILESCC(C)CC1(C)CCC(CI)O1
InChIInChI=1S/C10H19IO/c1-8(2)6-10(3)5-4-9(7-11)12-10/h8-9H,4-7H2,1-3H3
InChIKeyITOABPYTUQDBGB-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.16
LogP ≤ 53.41
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

6-ethyl-2-methyl-2-(2-methylpropyl)morpholine
CID 65122203
2-cyclopropyl-6-(iodomethyl)-2-methyloxane
CID 130582963
(2R)-2,9-bis(iodomethyl)-1,10-dioxaspiro[4.5]decane
CID 135041897
2-(iodomethyl)-7,9-dimethyl-1,8-dioxaspiro[4.5]decane
CID 130582587
2-(iodomethyl)-1,7-dioxaspiro[4.4]nonane
CID 130582607
[5-(2,2-dimethylpropyl)-5-methyloxolan-2-yl]methanamine
CID 131048430
6-(iodomethyl)-2-methyl-2-(oxolan-2-yl)oxane
CID 130583331
1,1,4-trimethyl-4-(2-methylpropyl)cyclohexane
CID 158706350
N-[3-(5,5-dimethyloxolan-2-yl)propyl]-2-methylpropan-1-amine
CID 116523545
1-(2-methylpropyl)-7-oxabicyclo[4.1.0]heptane
CID 15441964
5'-(iodomethyl)spiro[bicyclo[4.1.0]heptane-2,2'-oxolane]
CID 130582614
1-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol
CID 20975834

Frequently Asked Questions

What is the IUPAC name of 5-(iodomethyl)-2-methyl-2-(2-methylpropyl)oxolane?
The IUPAC name of 5-(iodomethyl)-2-methyl-2-(2-methylpropyl)oxolane (CID 130582685) is 5-(iodomethyl)-2-methyl-2-(2-methylpropyl)oxolane.
What is the SMILES notation for 5-(iodomethyl)-2-methyl-2-(2-methylpropyl)oxolane?
The canonical SMILES for 5-(iodomethyl)-2-methyl-2-(2-methylpropyl)oxolane is CC(C)CC1(C)CCC(CI)O1.
What is the InChIKey of 5-(iodomethyl)-2-methyl-2-(2-methylpropyl)oxolane?
The InChIKey is ITOABPYTUQDBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19IO/c1-8(2)6-10(3)5-4-9(7-11)12-10/h8-9H,4-7H2,1-3H3.
What are the key properties of 5-(iodomethyl)-2-methyl-2-(2-methylpropyl)oxolane?
5-(iodomethyl)-2-methyl-2-(2-methylpropyl)oxolane has a molecular weight of 282.16 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(iodomethyl)-2-methyl-2-(2-methylpropyl)oxolane is sourced from PubChem (CID 130582685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).