(3R,4R,6S)-2,2,6-trimethyloxane-3,4-diol

C8H16O3 — CID 178008700

IUPAC(3R,4R,6S)-2,2,6-trimethyloxane-3,4-diol
SMILESC[C@H]1C[C@@H](O)[C@@H](O)C(C)(C)O1
InChIInChI=1S/C8H16O3/c1-5-4-6(9)7(10)8(2,3)11-5/h5-7,9-10H,4H2,1-3H3/t5-,6+,7+/m0/s1
InChIKeyMQHSUIUVUFHBOI-RRKCRQDMSA-N
MW160.21 g/mol
LogP0.30
Rot. Bonds

About (3R,4R,6S)-2,2,6-trimethyloxane-3,4-diol

(3R,4R,6S)-2,2,6-trimethyloxane-3,4-diol (PubChem CID 178008700) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (3R,4R,6S)-2,2,6-trimethyloxane-3,4-diol.

Molecular Properties

Compound Name(3R,4R,6S)-2,2,6-trimethyloxane-3,4-diol
PubChem CID178008700
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(3R,4R,6S)-2,2,6-trimethyloxane-3,4-diol
SMILESC[C@H]1C[C@@H](O)[C@@H](O)C(C)(C)O1
InChIInChI=1S/C8H16O3/c1-5-4-6(9)7(10)8(2,3)11-5/h5-7,9-10H,4H2,1-3H3/t5-,6+,7+/m0/s1
InChIKeyMQHSUIUVUFHBOI-RRKCRQDMSA-N
XLogP0.30
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2,3,4-trihydroxy-6-methyloxan-2-yl]methyl phosphate
CID 135053951
2,2,5-trimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-7-ol
CID 130142145
2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanol
CID 14705267
(1S,2R,4R,5R)-4,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-2,4-diol
CID 131019227
(3R,4R,5S)-6,6-dimethyloxane-2,3,4,5-tetrol
CID 174689422
(3S,4S,5R)-6,6-dimethyloxane-2,3,4,5-tetrol
CID 130978122
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
CID 59964934
CID 59964934
(2R,3R,4S,6S)-6-methyloxane-2,3,4-triol
CID 26966621
(2R,3R,4R,6R)-6-methyloxane-2,3,4-triol
CID 131039389
1-[(4R,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanone
CID 11579201
(2S,3S,4R,6R)-2,3-dimethoxy-6-methyloxan-4-ol
CID 10866852

Frequently Asked Questions

What is the IUPAC name of (3R,4R,6S)-2,2,6-trimethyloxane-3,4-diol?
The IUPAC name of (3R,4R,6S)-2,2,6-trimethyloxane-3,4-diol (CID 178008700) is (3R,4R,6S)-2,2,6-trimethyloxane-3,4-diol.
What is the SMILES notation for (3R,4R,6S)-2,2,6-trimethyloxane-3,4-diol?
The canonical SMILES for (3R,4R,6S)-2,2,6-trimethyloxane-3,4-diol is C[C@H]1C[C@@H](O)[C@@H](O)C(C)(C)O1.
What is the InChIKey of (3R,4R,6S)-2,2,6-trimethyloxane-3,4-diol?
The InChIKey is MQHSUIUVUFHBOI-RRKCRQDMSA-N. The full InChI is InChI=1S/C8H16O3/c1-5-4-6(9)7(10)8(2,3)11-5/h5-7,9-10H,4H2,1-3H3/t5-,6+,7+/m0/s1.
What are the key properties of (3R,4R,6S)-2,2,6-trimethyloxane-3,4-diol?
(3R,4R,6S)-2,2,6-trimethyloxane-3,4-diol has a molecular weight of 160.21 g/mol, XLogP of 0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,6S)-2,2,6-trimethyloxane-3,4-diol is sourced from PubChem (CID 178008700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).