(5R)-3,5,6-trimethyloxane-2,4-diol

C8H16O3 — CID 59897700

IUPAC(5R)-3,5,6-trimethyloxane-2,4-diol
SMILESCC1C(O)OC(C)[C@H](C)C1O
InChIInChI=1S/C8H16O3/c1-4-6(3)11-8(10)5(2)7(4)9/h4-10H,1-3H3/t4-,5?,6?,7?,8?/m0/s1
InChIKeyLOXXCWWKKVFWBT-DKBGPPMCSA-N
MW160.21 g/mol
LogP0.36
Rot. Bonds

About (5R)-3,5,6-trimethyloxane-2,4-diol

(5R)-3,5,6-trimethyloxane-2,4-diol (PubChem CID 59897700) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (5R)-3,5,6-trimethyloxane-2,4-diol.

Molecular Properties

Compound Name(5R)-3,5,6-trimethyloxane-2,4-diol
PubChem CID59897700
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(5R)-3,5,6-trimethyloxane-2,4-diol
SMILESCC1C(O)OC(C)[C@H](C)C1O
InChIInChI=1S/C8H16O3/c1-4-6(3)11-8(10)5(2)7(4)9/h4-10H,1-3H3/t4-,5?,6?,7?,8?/m0/s1
InChIKeyLOXXCWWKKVFWBT-DKBGPPMCSA-N
XLogP0.36
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 ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-3,4,5,6-tetramethyloxan-2-ol
CID 142821764
(3R)-5-methyloxolane-2,3,4-triol
CID 59335588
(4R,6R)-6-(hydroxymethyl)-3-methyloxane-2,4,5-triol
CID 163424512
(3S,4S,5S,6R)-2-methoxy-3,5,6-trimethyloxan-4-ol
CID 21122764
2-(hydroxymethyl)-3,5,6-trimethyloxan-4-ol
CID 22983061
(4S,5R)-6-(hydroxymethyl)-3-methyloxane-2,4,5-triol
CID 90196477
(2R,3S,4R,5R,6R)-6-(hydroxymethyl)-3,5-dimethyloxane-2,4-diol
CID 165082057
CID 58545492
CID 58545492
(2R)-2,3-dimethylcyclopropan-1-ol
CID 173306707
(3S,4R,5S,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 101369112
(3R,4R,6S)-2,4,5,6-tetramethyloxan-3-ol
CID 91529675
(2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol;(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol
CID 129314639

Frequently Asked Questions

What is the IUPAC name of (5R)-3,5,6-trimethyloxane-2,4-diol?
The IUPAC name of (5R)-3,5,6-trimethyloxane-2,4-diol (CID 59897700) is (5R)-3,5,6-trimethyloxane-2,4-diol.
What is the SMILES notation for (5R)-3,5,6-trimethyloxane-2,4-diol?
The canonical SMILES for (5R)-3,5,6-trimethyloxane-2,4-diol is CC1C(O)OC(C)[C@H](C)C1O.
What is the InChIKey of (5R)-3,5,6-trimethyloxane-2,4-diol?
The InChIKey is LOXXCWWKKVFWBT-DKBGPPMCSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-6(3)11-8(10)5(2)7(4)9/h4-10H,1-3H3/t4-,5?,6?,7?,8?/m0/s1.
What are the key properties of (5R)-3,5,6-trimethyloxane-2,4-diol?
(5R)-3,5,6-trimethyloxane-2,4-diol has a molecular weight of 160.21 g/mol, XLogP of 0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3,5,6-trimethyloxane-2,4-diol is sourced from PubChem (CID 59897700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).