(3R,6S)-3,5,6-trimethyloxan-2-ol

C8H16O2 — CID 155725395

IUPAC(3R,6S)-3,5,6-trimethyloxan-2-ol
SMILESCC1C[C@@H](C)C(O)O[C@H]1C
InChIInChI=1S/C8H16O2/c1-5-4-6(2)8(9)10-7(5)3/h5-9H,4H2,1-3H3/t5?,6-,7+,8?/m1/s1
InChIKeyIGDSHFNDUZWNHV-RIWIAUTPSA-N
MW144.21 g/mol
LogP1.39
Rot. Bonds

About (3R,6S)-3,5,6-trimethyloxan-2-ol

(3R,6S)-3,5,6-trimethyloxan-2-ol (PubChem CID 155725395) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (3R,6S)-3,5,6-trimethyloxan-2-ol.

Molecular Properties

Compound Name(3R,6S)-3,5,6-trimethyloxan-2-ol
PubChem CID155725395
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(3R,6S)-3,5,6-trimethyloxan-2-ol
SMILESCC1C[C@@H](C)C(O)O[C@H]1C
InChIInChI=1S/C8H16O2/c1-5-4-6(2)8(9)10-7(5)3/h5-9H,4H2,1-3H3/t5?,6-,7+,8?/m1/s1
InChIKeyIGDSHFNDUZWNHV-RIWIAUTPSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R,5R,6R)-3,5-dimethyl-6-propan-2-yloxan-2-ol
CID 131085661
(1R,3R,4R,6R)-4,6-dimethylcyclohexane-1,3-diol
CID 131177200
CID 90756045
CID 90756045
(2R,4S,5S)-4,5-dimethyloxolane-2-carboxylic acid
CID 167212473
(3R)-5-methyloxolane-2,3,4-triol
CID 59335588
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
(2S,3R)-2,4,6-trimethyloxan-3-ol
CID 142458613
(3S,4R,5S,6S)-3-chloro-6-methyloxane-2,4,5-triol
CID 175716667
(5S)-3,4,5,6-tetramethyloxan-2-ol
CID 142821764
(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
(3S,4R,5S,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 101369112
(3S,4R,5R)-6-methyloxane-2,3,4,5-tetrol
CID 59897521

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-3,5,6-trimethyloxan-2-ol?
The IUPAC name of (3R,6S)-3,5,6-trimethyloxan-2-ol (CID 155725395) is (3R,6S)-3,5,6-trimethyloxan-2-ol.
What is the SMILES notation for (3R,6S)-3,5,6-trimethyloxan-2-ol?
The canonical SMILES for (3R,6S)-3,5,6-trimethyloxan-2-ol is CC1C[C@@H](C)C(O)O[C@H]1C.
What is the InChIKey of (3R,6S)-3,5,6-trimethyloxan-2-ol?
The InChIKey is IGDSHFNDUZWNHV-RIWIAUTPSA-N. The full InChI is InChI=1S/C8H16O2/c1-5-4-6(2)8(9)10-7(5)3/h5-9H,4H2,1-3H3/t5?,6-,7+,8?/m1/s1.
What are the key properties of (3R,6S)-3,5,6-trimethyloxan-2-ol?
(3R,6S)-3,5,6-trimethyloxan-2-ol has a molecular weight of 144.21 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-3,5,6-trimethyloxan-2-ol is sourced from PubChem (CID 155725395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).