2-methyl-3-methylbutane-2,3-diol

C6H13O2+ — CID 161412790

IUPAC2-methyl-3-methylbutane-2,3-diol
SMILES[CH2+]C(C)(O)C(C)(C)O
InChIInChI=1S/C6H13O2/c1-5(2,7)6(3,4)8/h7-8H,1H2,2-4H3/q+1
InChIKeyAEFMJFFYBYFUMW-UHFFFAOYSA-N
MW117.17 g/mol
LogP0.34
Rot. Bonds1

About 2-methyl-3-methylbutane-2,3-diol

2-methyl-3-methylbutane-2,3-diol (PubChem CID 161412790) has the molecular formula C6H13O2+ and a molecular weight of 117.17 g/mol. Its IUPAC name is 2-methyl-3-methylbutane-2,3-diol.

Molecular Properties

Compound Name2-methyl-3-methylbutane-2,3-diol
PubChem CID161412790
Molecular FormulaC6H13O2+
Molecular Weight117.17 g/mol
Exact Mass117.09
IUPAC Name2-methyl-3-methylbutane-2,3-diol
SMILES[CH2+]C(C)(O)C(C)(C)O
InChIInChI=1S/C6H13O2/c1-5(2,7)6(3,4)8/h7-8H,1H2,2-4H3/q+1
InChIKeyAEFMJFFYBYFUMW-UHFFFAOYSA-N
XLogP0.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethylbutane-2,3-diol;hydrobromide
CID 175354079
bis(2,3,3-trimethylbutan-2-ol);hydrate
CID 71347639
2-methyl-3-silylbutane-2,3-diol
CID 174482175
boric acid;bis(2,3-dimethylbutane-2,3-diol)
CID 87113671
2,3,3,4,4,5,5,6-octamethylheptane-2,6-diol
CID 155249648
ethane-1,1,1-triol;hydrochloride
CID 21272946
lithium 2-methylpropan-2-ol
CID 21120036
tetrakis(2-methylpropan-2-ol);titanium
CID 174053389
2-methylpropan-2-ol;molybdenum
CID 174435313
2-methylpropan-2-ol;titanium(4+)
CID 159912750
2-methylpropan-2-ol;neodymium
CID 154348927
methane;2-methylpropan-2-ol
CID 157161859

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylbutane-2,3-diol?
The IUPAC name of 2-methyl-3-methylbutane-2,3-diol (CID 161412790) is 2-methyl-3-methylbutane-2,3-diol.
What is the SMILES notation for 2-methyl-3-methylbutane-2,3-diol?
The canonical SMILES for 2-methyl-3-methylbutane-2,3-diol is [CH2+]C(C)(O)C(C)(C)O.
What is the InChIKey of 2-methyl-3-methylbutane-2,3-diol?
The InChIKey is AEFMJFFYBYFUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O2/c1-5(2,7)6(3,4)8/h7-8H,1H2,2-4H3/q+1.
What are the key properties of 2-methyl-3-methylbutane-2,3-diol?
2-methyl-3-methylbutane-2,3-diol has a molecular weight of 117.17 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylbutane-2,3-diol is sourced from PubChem (CID 161412790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).