2-tert-butyl-4,6-dimethyloxane-3,5-diol

C11H22O3 — CID 59892631

IUPAC2-tert-butyl-4,6-dimethyloxane-3,5-diol
SMILESCC1OC(C(C)(C)C)C(O)C(C)C1O
InChIInChI=1S/C11H22O3/c1-6-8(12)7(2)14-10(9(6)13)11(3,4)5/h6-10,12-13H,1-5H3
InChIKeyLXBFLVHEJZVIBE-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.18
Rot. Bonds

About 2-tert-butyl-4,6-dimethyloxane-3,5-diol

2-tert-butyl-4,6-dimethyloxane-3,5-diol (PubChem CID 59892631) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-tert-butyl-4,6-dimethyloxane-3,5-diol.

Molecular Properties

Compound Name2-tert-butyl-4,6-dimethyloxane-3,5-diol
PubChem CID59892631
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-tert-butyl-4,6-dimethyloxane-3,5-diol
SMILESCC1OC(C(C)(C)C)C(O)C(C)C1O
InChIInChI=1S/C11H22O3/c1-6-8(12)7(2)14-10(9(6)13)11(3,4)5/h6-10,12-13H,1-5H3
InChIKeyLXBFLVHEJZVIBE-UHFFFAOYSA-N
XLogP1.18
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R,5R)-2-tert-butyl-6-methyloxane-3,4,5-triol
CID 58716381
2-tert-butyl-5-(hydroxymethyl)-4-methyloxolan-3-ol
CID 58532026
(2S,3R,4R,5S,6S)-2-tert-butyl-4-methyl-6-(methylsulfanylmethyl)oxane-3,5-diol;formaldehyde
CID 158716312
2-tert-butyl-3,4,5,6-tetramethyloxane
CID 20707638
2-tert-butyl-6-(trifluoromethyl)oxane-3,4,5-triol
CID 146643726
(2R,3R,5S)-2,6-dimethyloxane-3,4,5-triol
CID 90181496
(2S,3R,4R,5S,6R)-6-(aminomethyl)-2-tert-butyl-5-fluoro-4-methyloxan-3-ol
CID 59065158
(3R,4R,6S)-2,4,5,6-tetramethyloxan-3-ol
CID 91529675
(2S,3S,5R)-2-tert-butyl-6-methyloxane-3,5-diol
CID 164829805
(3R,4R,5S,6R)-2-tert-butyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70960673
(3S,4R,5R,6S)-2-tert-butyl-6-ethyloxane-3,4,5-triol
CID 70862657
2-tert-butyl-6-methyloxane-3,4-diol
CID 20758663

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,6-dimethyloxane-3,5-diol?
The IUPAC name of 2-tert-butyl-4,6-dimethyloxane-3,5-diol (CID 59892631) is 2-tert-butyl-4,6-dimethyloxane-3,5-diol.
What is the SMILES notation for 2-tert-butyl-4,6-dimethyloxane-3,5-diol?
The canonical SMILES for 2-tert-butyl-4,6-dimethyloxane-3,5-diol is CC1OC(C(C)(C)C)C(O)C(C)C1O.
What is the InChIKey of 2-tert-butyl-4,6-dimethyloxane-3,5-diol?
The InChIKey is LXBFLVHEJZVIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-6-8(12)7(2)14-10(9(6)13)11(3,4)5/h6-10,12-13H,1-5H3.
What are the key properties of 2-tert-butyl-4,6-dimethyloxane-3,5-diol?
2-tert-butyl-4,6-dimethyloxane-3,5-diol has a molecular weight of 202.29 g/mol, XLogP of 1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,6-dimethyloxane-3,5-diol is sourced from PubChem (CID 59892631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).