3,4-ditert-butyloxolane-2,5-diol

C12H24O3 — CID 149499592

IUPAC3,4-ditert-butyloxolane-2,5-diol
SMILESCC(C)(C)C1C(O)OC(O)C1C(C)(C)C
InChIInChI=1S/C12H24O3/c1-11(2,3)7-8(12(4,5)6)10(14)15-9(7)13/h7-10,13-14H,1-6H3
InChIKeyZGSOOBGQAGLWIP-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.98
Rot. Bonds

About 3,4-ditert-butyloxolane-2,5-diol

3,4-ditert-butyloxolane-2,5-diol (PubChem CID 149499592) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3,4-ditert-butyloxolane-2,5-diol.

Molecular Properties

Compound Name3,4-ditert-butyloxolane-2,5-diol
PubChem CID149499592
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name3,4-ditert-butyloxolane-2,5-diol
SMILESCC(C)(C)C1C(O)OC(O)C1C(C)(C)C
InChIInChI=1S/C12H24O3/c1-11(2,3)7-8(12(4,5)6)10(14)15-9(7)13/h7-10,13-14H,1-6H3
InChIKeyZGSOOBGQAGLWIP-UHFFFAOYSA-N
XLogP1.98
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S,4R,5R,6R)-5-tert-butyl-3,4,6-trihydroxyoxane-2-carboxylic acid
CID 167117111
5-tert-butyl-6-(hydroxymethyl)oxane-2,3,4-triol
CID 131967102
1,2,3,4-tetratert-butylcyclobutane
CID 164732302
(2R,4S,5R)-4,5-ditert-butyl-2-(2,2-dimethylpropyl)oxolan-3-ol
CID 177125372
(3S,4S)-oxolane-2,3,4,5-tetrol
CID 89085944
(3S,4R,6R)-5-tert-butyl-2-(hydroxymethyl)-6-methyloxane-3,4-diol
CID 159891300
(2R,4R,5R,6R)-2-tert-butyl-5,6-dimethyl-1,3-dioxan-4-ol
CID 131134310
2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol
CID 20758632
(3R,4R,5R,6R)-6-ethyl-3-(trifluoromethyl)oxane-2,4,5-triol
CID 174153734
6-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)oxane-2,3,4-triol
CID 129082603
(2R,3R)-3-tert-butylbicyclo[2.2.1]heptan-2-ol
CID 171582038
(2S,3R,5R)-2-tert-butyl-6-methyloxane-3,4,5-triol
CID 58716381

Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butyloxolane-2,5-diol?
The IUPAC name of 3,4-ditert-butyloxolane-2,5-diol (CID 149499592) is 3,4-ditert-butyloxolane-2,5-diol.
What is the SMILES notation for 3,4-ditert-butyloxolane-2,5-diol?
The canonical SMILES for 3,4-ditert-butyloxolane-2,5-diol is CC(C)(C)C1C(O)OC(O)C1C(C)(C)C.
What is the InChIKey of 3,4-ditert-butyloxolane-2,5-diol?
The InChIKey is ZGSOOBGQAGLWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-11(2,3)7-8(12(4,5)6)10(14)15-9(7)13/h7-10,13-14H,1-6H3.
What are the key properties of 3,4-ditert-butyloxolane-2,5-diol?
3,4-ditert-butyloxolane-2,5-diol has a molecular weight of 216.32 g/mol, XLogP of 1.98, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butyloxolane-2,5-diol is sourced from PubChem (CID 149499592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).