2-tert-butyl-5-(hydroxymethyl)-4-methyloxolan-3-ol

C10H20O3 — CID 58532026

IUPAC2-tert-butyl-5-(hydroxymethyl)-4-methyloxolan-3-ol
SMILESCC1C(CO)OC(C(C)(C)C)C1O
InChIInChI=1S/C10H20O3/c1-6-7(5-11)13-9(8(6)12)10(2,3)4/h6-9,11-12H,5H2,1-4H3
InChIKeyBEQDLOVWIOFIOI-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.79
Rot. Bonds1

About 2-tert-butyl-5-(hydroxymethyl)-4-methyloxolan-3-ol

2-tert-butyl-5-(hydroxymethyl)-4-methyloxolan-3-ol (PubChem CID 58532026) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-tert-butyl-5-(hydroxymethyl)-4-methyloxolan-3-ol.

Molecular Properties

Compound Name2-tert-butyl-5-(hydroxymethyl)-4-methyloxolan-3-ol
PubChem CID58532026
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2-tert-butyl-5-(hydroxymethyl)-4-methyloxolan-3-ol
SMILESCC1C(CO)OC(C(C)(C)C)C1O
InChIInChI=1S/C10H20O3/c1-6-7(5-11)13-9(8(6)12)10(2,3)4/h6-9,11-12H,5H2,1-4H3
InChIKeyBEQDLOVWIOFIOI-UHFFFAOYSA-N
XLogP0.79
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R,5S,6R)-2-tert-butyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70960673
2-(hydroxymethyl)-3,5,6-trimethyloxan-4-ol
CID 22983061
2-tert-butyl-4,6-dimethyloxane-3,5-diol
CID 59892631
(2R,3S,4R,5R,6R)-6-(hydroxymethyl)-3,5-dimethyloxane-2,4-diol
CID 165082057
5-amino-2-(hydroxymethyl)-3-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-4-ol
CID 155117279
(2S,3R,4R,5S,6R)-6-(aminomethyl)-2-tert-butyl-5-fluoro-4-methyloxan-3-ol
CID 59065158
2-tert-butyl-5-(2,3-dimethylbutan-2-yl)-6-(hydroxymethyl)oxane-3,4-diol
CID 153348400
(2S,3R,4R,5S,6S)-2-tert-butyl-4-methyl-6-(methylsulfanylmethyl)oxane-3,5-diol;formaldehyde
CID 158716312
(2R,5R)-6-(hydroxymethyl)-2,4,5-trimethyloxan-3-ol
CID 168899706
[2-tert-butyl-4-hydroxy-6-(hydroxymethyl)-5-iodooxyoxan-3-yl] hypoiodite
CID 129254497
(3S,4R,6R)-5-tert-butyl-2-(hydroxymethyl)-6-methyloxane-3,4-diol
CID 159891300
(2S,3R,4S,5S,6S)-6-(hydroxymethyl)-2-methoxy-5-methyloxane-3,4-diol
CID 162222185

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(hydroxymethyl)-4-methyloxolan-3-ol?
The IUPAC name of 2-tert-butyl-5-(hydroxymethyl)-4-methyloxolan-3-ol (CID 58532026) is 2-tert-butyl-5-(hydroxymethyl)-4-methyloxolan-3-ol.
What is the SMILES notation for 2-tert-butyl-5-(hydroxymethyl)-4-methyloxolan-3-ol?
The canonical SMILES for 2-tert-butyl-5-(hydroxymethyl)-4-methyloxolan-3-ol is CC1C(CO)OC(C(C)(C)C)C1O.
What is the InChIKey of 2-tert-butyl-5-(hydroxymethyl)-4-methyloxolan-3-ol?
The InChIKey is BEQDLOVWIOFIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-6-7(5-11)13-9(8(6)12)10(2,3)4/h6-9,11-12H,5H2,1-4H3.
What are the key properties of 2-tert-butyl-5-(hydroxymethyl)-4-methyloxolan-3-ol?
2-tert-butyl-5-(hydroxymethyl)-4-methyloxolan-3-ol has a molecular weight of 188.27 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(hydroxymethyl)-4-methyloxolan-3-ol is sourced from PubChem (CID 58532026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).