(3R,4R,6S)-2,4,5,6-tetramethyloxan-3-ol

C9H18O2 — CID 91529675

IUPAC(3R,4R,6S)-2,4,5,6-tetramethyloxan-3-ol
SMILESCC1[C@H](C)OC(C)[C@H](O)[C@@H]1C
InChIInChI=1S/C9H18O2/c1-5-6(2)9(10)8(4)11-7(5)3/h5-10H,1-4H3/t5?,6-,7+,8?,9-/m1/s1
InChIKeyGRGMLZDISCTIRZ-WUSGRAFWSA-N
MW158.24 g/mol
LogP1.43
Rot. Bonds

About (3R,4R,6S)-2,4,5,6-tetramethyloxan-3-ol

(3R,4R,6S)-2,4,5,6-tetramethyloxan-3-ol (PubChem CID 91529675) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (3R,4R,6S)-2,4,5,6-tetramethyloxan-3-ol.

Molecular Properties

Compound Name(3R,4R,6S)-2,4,5,6-tetramethyloxan-3-ol
PubChem CID91529675
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(3R,4R,6S)-2,4,5,6-tetramethyloxan-3-ol
SMILESCC1[C@H](C)OC(C)[C@H](O)[C@@H]1C
InChIInChI=1S/C9H18O2/c1-5-6(2)9(10)8(4)11-7(5)3/h5-10H,1-4H3/t5?,6-,7+,8?,9-/m1/s1
InChIKeyGRGMLZDISCTIRZ-WUSGRAFWSA-N
XLogP1.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R,5S)-2,6-dimethyloxane-3,4,5-triol
CID 90181496
(5R)-2,3,4,5,6-pentamethyloxane
CID 59269885
(2R,3S,4S,5R,6R)-2-ethyl-4,5,6-trimethyloxan-3-ol
CID 163662834
(2R,5R)-6-(hydroxymethyl)-2,4,5-trimethyloxan-3-ol
CID 168899706
CID 58545492
CID 58545492
(3S,4R,5S,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 101369112
(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
CID 171369816
CID 171369816
(3S,4R,5R)-6-methyloxane-2,3,4,5-tetrol
CID 59897521
(3R,4R,5R,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 90472741
(2R,5S)-4-amino-2,6-dimethyloxane-3,5-diol
CID 89232142

Frequently Asked Questions

What is the IUPAC name of (3R,4R,6S)-2,4,5,6-tetramethyloxan-3-ol?
The IUPAC name of (3R,4R,6S)-2,4,5,6-tetramethyloxan-3-ol (CID 91529675) is (3R,4R,6S)-2,4,5,6-tetramethyloxan-3-ol.
What is the SMILES notation for (3R,4R,6S)-2,4,5,6-tetramethyloxan-3-ol?
The canonical SMILES for (3R,4R,6S)-2,4,5,6-tetramethyloxan-3-ol is CC1[C@H](C)OC(C)[C@H](O)[C@@H]1C.
What is the InChIKey of (3R,4R,6S)-2,4,5,6-tetramethyloxan-3-ol?
The InChIKey is GRGMLZDISCTIRZ-WUSGRAFWSA-N. The full InChI is InChI=1S/C9H18O2/c1-5-6(2)9(10)8(4)11-7(5)3/h5-10H,1-4H3/t5?,6-,7+,8?,9-/m1/s1.
What are the key properties of (3R,4R,6S)-2,4,5,6-tetramethyloxan-3-ol?
(3R,4R,6S)-2,4,5,6-tetramethyloxan-3-ol has a molecular weight of 158.24 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,6S)-2,4,5,6-tetramethyloxan-3-ol is sourced from PubChem (CID 91529675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).