2-tert-butyl-6-methyloxane-3,4-diol

C10H20O3 — CID 20758663

IUPAC2-tert-butyl-6-methyloxane-3,4-diol
SMILESCC1CC(O)C(O)C(C(C)(C)C)O1
InChIInChI=1S/C10H20O3/c1-6-5-7(11)8(12)9(13-6)10(2,3)4/h6-9,11-12H,5H2,1-4H3
InChIKeyHXTIIOXNUWLZOV-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.93
Rot. Bonds

About 2-tert-butyl-6-methyloxane-3,4-diol

2-tert-butyl-6-methyloxane-3,4-diol (PubChem CID 20758663) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-tert-butyl-6-methyloxane-3,4-diol.

Molecular Properties

Compound Name2-tert-butyl-6-methyloxane-3,4-diol
PubChem CID20758663
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2-tert-butyl-6-methyloxane-3,4-diol
SMILESCC1CC(O)C(O)C(C(C)(C)C)O1
InChIInChI=1S/C10H20O3/c1-6-5-7(11)8(12)9(13-6)10(2,3)4/h6-9,11-12H,5H2,1-4H3
InChIKeyHXTIIOXNUWLZOV-UHFFFAOYSA-N
XLogP0.93
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-tert-butyloxane-2,4,5-triol
CID 91219184
2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol
CID 20758656
(2R,3R,4S,6S)-6-methyloxane-2,3,4-triol
CID 26966621
(2R,3R,4R,6R)-6-methyloxane-2,3,4-triol
CID 131039389
(2S,3S,5R)-2-tert-butyl-6-methyloxane-3,5-diol
CID 164829805
1,2-ditert-butylcyclopropane;2,3-ditert-butyloxirane
CID 157284508
(2S,3R,5R)-2-tert-butyl-6-methyloxane-3,4,5-triol
CID 58716381
(3R,5S,6R)-6-tert-butyl-2,5-dimethyloxan-3-ol
CID 167642620
(3S,6R)-3,4-dihydroxy-6-methyloxane-2-carboxylic acid
CID 137395580
(3S,4S)-2-(hydroxymethyl)-6-methyloxane-3,4-diol
CID 89372248
3-tert-butylcyclobutane-1,2-diol
CID 12791413
2-tert-butyl-4,6-dimethyloxane-3,5-diol
CID 59892631

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-methyloxane-3,4-diol?
The IUPAC name of 2-tert-butyl-6-methyloxane-3,4-diol (CID 20758663) is 2-tert-butyl-6-methyloxane-3,4-diol.
What is the SMILES notation for 2-tert-butyl-6-methyloxane-3,4-diol?
The canonical SMILES for 2-tert-butyl-6-methyloxane-3,4-diol is CC1CC(O)C(O)C(C(C)(C)C)O1.
What is the InChIKey of 2-tert-butyl-6-methyloxane-3,4-diol?
The InChIKey is HXTIIOXNUWLZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-6-5-7(11)8(12)9(13-6)10(2,3)4/h6-9,11-12H,5H2,1-4H3.
What are the key properties of 2-tert-butyl-6-methyloxane-3,4-diol?
2-tert-butyl-6-methyloxane-3,4-diol has a molecular weight of 188.27 g/mol, XLogP of 0.93, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-methyloxane-3,4-diol is sourced from PubChem (CID 20758663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).