(2S,3R)-2,4,6-trimethyloxan-3-ol

C8H16O2 — CID 142458613

IUPAC(2S,3R)-2,4,6-trimethyloxan-3-ol
SMILESCC1CC(C)[C@@H](O)[C@H](C)O1
InChIInChI=1S/C8H16O2/c1-5-4-6(2)10-7(3)8(5)9/h5-9H,4H2,1-3H3/t5?,6?,7-,8+/m0/s1
InChIKeyZIVAGILWCMBZCI-RLXKETGRSA-N
MW144.21 g/mol
LogP1.18
Rot. Bonds

About (2S,3R)-2,4,6-trimethyloxan-3-ol

(2S,3R)-2,4,6-trimethyloxan-3-ol (PubChem CID 142458613) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (2S,3R)-2,4,6-trimethyloxan-3-ol.

Molecular Properties

Compound Name(2S,3R)-2,4,6-trimethyloxan-3-ol
PubChem CID142458613
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(2S,3R)-2,4,6-trimethyloxan-3-ol
SMILESCC1CC(C)[C@@H](O)[C@H](C)O1
InChIInChI=1S/C8H16O2/c1-5-4-6(2)10-7(3)8(5)9/h5-9H,4H2,1-3H3/t5?,6?,7-,8+/m0/s1
InChIKeyZIVAGILWCMBZCI-RLXKETGRSA-N
XLogP1.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-2,3,4,6-tetramethyloxane
CID 162125825
2,3,4,6-tetramethyloxane
CID 20816370
6-methoxy-2,4-dimethyloxan-3-ol
CID 58831559
(3S,6S)-6-[(3R,6S)-3-hydroxy-2,6-dimethyloxan-4-yl]oxy-2-methyloxane-3,4-diol
CID 70898410
(2R,3R,5S)-2,6-dimethyloxane-3,4,5-triol
CID 90181496
(2S,4S,5S,6R)-6-methyloxane-2,4,5-triol
CID 6543736
(2R,3R,4S,6S)-6-methyloxane-2,3,4-triol
CID 26966621
(2R,3R,4R,6R)-6-methyloxane-2,3,4-triol
CID 131039389
[(2R,3R,5S)-2,5-dimethyloxolan-3-yl]boronic acid
CID 163654714
[(2S,3S,5R)-2,5-dimethyloxolan-3-yl]methanol
CID 171816838
(5S,6S)-4-amino-6-methyloxane-2,5-diol
CID 55284628
6-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-methyloxane-3,4-diol
CID 163002140

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,4,6-trimethyloxan-3-ol?
The IUPAC name of (2S,3R)-2,4,6-trimethyloxan-3-ol (CID 142458613) is (2S,3R)-2,4,6-trimethyloxan-3-ol.
What is the SMILES notation for (2S,3R)-2,4,6-trimethyloxan-3-ol?
The canonical SMILES for (2S,3R)-2,4,6-trimethyloxan-3-ol is CC1CC(C)[C@@H](O)[C@H](C)O1.
What is the InChIKey of (2S,3R)-2,4,6-trimethyloxan-3-ol?
The InChIKey is ZIVAGILWCMBZCI-RLXKETGRSA-N. The full InChI is InChI=1S/C8H16O2/c1-5-4-6(2)10-7(3)8(5)9/h5-9H,4H2,1-3H3/t5?,6?,7-,8+/m0/s1.
What are the key properties of (2S,3R)-2,4,6-trimethyloxan-3-ol?
(2S,3R)-2,4,6-trimethyloxan-3-ol has a molecular weight of 144.21 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,4,6-trimethyloxan-3-ol is sourced from PubChem (CID 142458613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).