2-(iodomethyl)-2-methylpropane-1,3-diol

C5H11IO2 — CID 119096580

IUPAC2-(iodomethyl)-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)CI
InChIInChI=1S/C5H11IO2/c1-5(2-6,3-7)4-8/h7-8H,2-4H2,1H3
InChIKeyZZJXREKIRBTZQA-UHFFFAOYSA-N
MW230.04 g/mol
LogP0.41
Rot. Bonds3

About 2-(iodomethyl)-2-methylpropane-1,3-diol

2-(iodomethyl)-2-methylpropane-1,3-diol (PubChem CID 119096580) has the molecular formula C5H11IO2 and a molecular weight of 230.04 g/mol. Its IUPAC name is 2-(iodomethyl)-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-(iodomethyl)-2-methylpropane-1,3-diol
PubChem CID119096580
Molecular FormulaC5H11IO2
Molecular Weight230.04 g/mol
Exact Mass229.98
IUPAC Name2-(iodomethyl)-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)CI
InChIInChI=1S/C5H11IO2/c1-5(2-6,3-7)4-8/h7-8H,2-4H2,1H3
InChIKeyZZJXREKIRBTZQA-UHFFFAOYSA-N
XLogP0.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.04
LogP ≤ 50.41
H-Bond Donors ≤ 52
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

1,3-diiodo-2-(iodomethyl)-2-methylpropane
CID 13088373
2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 118432348
azane;2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 88666778
CID 174073154
CID 174073154
carbanide;2-(hydroxymethyl)-2-methylpropane-1,3-diol;methanol;titanium;titanium(3+)
CID 20682178
bis(2-(hydroxymethyl)-2-methylpropane-1,3-diol);methylphosphonic acid
CID 158046425
2-ethyl-2-(iodomethyl)propane-1,3-diol
CID 118585787
2-(hydroxymethyl)-2-methylpentane-1,5-diol
CID 59271141
ethoxyethane;2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 21464807
alumane;2,2-dimethylpropan-1-ol
CID 174479314
(2S)-2-ethyl-2-methylbutane-1,4-diol
CID 89138945
3-(iodomethyl)-3-methylhexane
CID 121290697

Frequently Asked Questions

What is the IUPAC name of 2-(iodomethyl)-2-methylpropane-1,3-diol?
The IUPAC name of 2-(iodomethyl)-2-methylpropane-1,3-diol (CID 119096580) is 2-(iodomethyl)-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-(iodomethyl)-2-methylpropane-1,3-diol?
The canonical SMILES for 2-(iodomethyl)-2-methylpropane-1,3-diol is CC(CO)(CO)CI.
What is the InChIKey of 2-(iodomethyl)-2-methylpropane-1,3-diol?
The InChIKey is ZZJXREKIRBTZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11IO2/c1-5(2-6,3-7)4-8/h7-8H,2-4H2,1H3.
What are the key properties of 2-(iodomethyl)-2-methylpropane-1,3-diol?
2-(iodomethyl)-2-methylpropane-1,3-diol has a molecular weight of 230.04 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)-2-methylpropane-1,3-diol is sourced from PubChem (CID 119096580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).