6-tert-butyloxane-2,4,5-triol

C9H18O4 — CID 91219184

IUPAC6-tert-butyloxane-2,4,5-triol
SMILESCC(C)(C)C1OC(O)CC(O)C1O
InChIInChI=1S/C9H18O4/c1-9(2,3)8-7(12)5(10)4-6(11)13-8/h5-8,10-12H,4H2,1-3H3
InChIKeyAKLUDDJZOPXJMM-UHFFFAOYSA-N
MW190.24 g/mol
LogP-0.14
Rot. Bonds

About 6-tert-butyloxane-2,4,5-triol

6-tert-butyloxane-2,4,5-triol (PubChem CID 91219184) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 6-tert-butyloxane-2,4,5-triol.

Molecular Properties

Compound Name6-tert-butyloxane-2,4,5-triol
PubChem CID91219184
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name6-tert-butyloxane-2,4,5-triol
SMILESCC(C)(C)C1OC(O)CC(O)C1O
InChIInChI=1S/C9H18O4/c1-9(2,3)8-7(12)5(10)4-6(11)13-8/h5-8,10-12H,4H2,1-3H3
InChIKeyAKLUDDJZOPXJMM-UHFFFAOYSA-N
XLogP-0.14
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-6-methyloxane-3,4-diol
CID 20758663
2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol
CID 20758656
(2S,4S,5S,6R)-6-methyloxane-2,4,5-triol
CID 6543736
oxane-2,3,4,6-tetrol
CID 123881821
(2S,4R,6R)-oxane-2,3,4,6-tetrol
CID 139552661
1,2-ditert-butylcyclopropane;2,3-ditert-butyloxirane
CID 157284508
3-tert-butylcyclobutane-1,2-diol
CID 12791413
(2S,4R,5S,6S)-6-(2-hydroxy-1,3-diphenylpropan-2-yl)oxane-2,4,5-triol
CID 70102737
(2S,3S,5R)-2-tert-butyl-6-methyloxane-3,5-diol
CID 164829805
1-[(2S,3S,4R,6R)-3,4,6-trihydroxyoxan-2-yl]ethanone
CID 143417401
(3R,5S,6R)-6-tert-butyl-2,5-dimethyloxan-3-ol
CID 167642620
(4S,5R)-2-tert-butyloxane-3,4,5-triol
CID 118459215

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyloxane-2,4,5-triol?
The IUPAC name of 6-tert-butyloxane-2,4,5-triol (CID 91219184) is 6-tert-butyloxane-2,4,5-triol.
What is the SMILES notation for 6-tert-butyloxane-2,4,5-triol?
The canonical SMILES for 6-tert-butyloxane-2,4,5-triol is CC(C)(C)C1OC(O)CC(O)C1O.
What is the InChIKey of 6-tert-butyloxane-2,4,5-triol?
The InChIKey is AKLUDDJZOPXJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-9(2,3)8-7(12)5(10)4-6(11)13-8/h5-8,10-12H,4H2,1-3H3.
What are the key properties of 6-tert-butyloxane-2,4,5-triol?
6-tert-butyloxane-2,4,5-triol has a molecular weight of 190.24 g/mol, XLogP of -0.14, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyloxane-2,4,5-triol is sourced from PubChem (CID 91219184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).