[6-(2-methylbutan-2-yl)oxan-2-yl]methanol

C11H22O2 — CID 130979881

IUPAC[6-(2-methylbutan-2-yl)oxan-2-yl]methanol
SMILESCCC(C)(C)C1CCCC(CO)O1
InChIInChI=1S/C11H22O2/c1-4-11(2,3)10-7-5-6-9(8-12)13-10/h9-10,12H,4-8H2,1-3H3
InChIKeyMLHYQCJYMFXJSG-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.35
Rot. Bonds3

About [6-(2-methylbutan-2-yl)oxan-2-yl]methanol

[6-(2-methylbutan-2-yl)oxan-2-yl]methanol (PubChem CID 130979881) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is [6-(2-methylbutan-2-yl)oxan-2-yl]methanol.

Molecular Properties

Compound Name[6-(2-methylbutan-2-yl)oxan-2-yl]methanol
PubChem CID130979881
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name[6-(2-methylbutan-2-yl)oxan-2-yl]methanol
SMILESCCC(C)(C)C1CCCC(CO)O1
InChIInChI=1S/C11H22O2/c1-4-11(2,3)10-7-5-6-9(8-12)13-10/h9-10,12H,4-8H2,1-3H3
InChIKeyMLHYQCJYMFXJSG-UHFFFAOYSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [6-(2-methylbutan-2-yl)oxan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,5R)-5-tert-butyloxolan-2-yl]methanol
CID 14506377
2-[(2R,6S)-6-tert-butyloxan-2-yl]ethanol
CID 130978706
2-[5-(2-methylbutan-2-yl)oxolan-2-yl]acetonitrile
CID 131142384
[6-[amino(methyl)amino]oxan-2-yl]methanol
CID 67062802
[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]methanol
CID 12886254
CID 169187680
CID 169187680
6-(hydroxymethyl)oxane-2-carbaldehyde
CID 154093777
(2S,6S)-6-(hydroxymethyl)oxane-2-carbonitrile
CID 130992933
1-(oxolan-2-yl)butane-2,2-diol
CID 141149277
oxiran-2-ylmethanol;propane
CID 91466926
[(2S,6R)-6-tert-butylmorpholin-2-yl]methanol
CID 169228697
ethanol;oxan-2-ylmethanol
CID 66900182

Frequently Asked Questions

What is the IUPAC name of [6-(2-methylbutan-2-yl)oxan-2-yl]methanol?
The IUPAC name of [6-(2-methylbutan-2-yl)oxan-2-yl]methanol (CID 130979881) is [6-(2-methylbutan-2-yl)oxan-2-yl]methanol.
What is the SMILES notation for [6-(2-methylbutan-2-yl)oxan-2-yl]methanol?
The canonical SMILES for [6-(2-methylbutan-2-yl)oxan-2-yl]methanol is CCC(C)(C)C1CCCC(CO)O1.
What is the InChIKey of [6-(2-methylbutan-2-yl)oxan-2-yl]methanol?
The InChIKey is MLHYQCJYMFXJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-4-11(2,3)10-7-5-6-9(8-12)13-10/h9-10,12H,4-8H2,1-3H3.
What are the key properties of [6-(2-methylbutan-2-yl)oxan-2-yl]methanol?
[6-(2-methylbutan-2-yl)oxan-2-yl]methanol has a molecular weight of 186.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methylbutan-2-yl)oxan-2-yl]methanol is sourced from PubChem (CID 130979881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).