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

C9H18O2 — CID 142821764

IUPAC(5S)-3,4,5,6-tetramethyloxan-2-ol
SMILESCC1C(O)OC(C)[C@@H](C)C1C
InChIInChI=1S/C9H18O2/c1-5-6(2)8(4)11-9(10)7(5)3/h5-10H,1-4H3/t5?,6-,7?,8?,9?/m0/s1
InChIKeyFWHXQAFWKWNUTH-KJYVVIDUSA-N
MW158.24 g/mol
LogP1.63
Rot. Bonds

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

(5S)-3,4,5,6-tetramethyloxan-2-ol (PubChem CID 142821764) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (5S)-3,4,5,6-tetramethyloxan-2-ol.

Molecular Properties

Compound Name(5S)-3,4,5,6-tetramethyloxan-2-ol
PubChem CID142821764
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(5S)-3,4,5,6-tetramethyloxan-2-ol
SMILESCC1C(O)OC(C)[C@@H](C)C1C
InChIInChI=1S/C9H18O2/c1-5-6(2)8(4)11-9(10)7(5)3/h5-10H,1-4H3/t5?,6-,7?,8?,9?/m0/s1
InChIKeyFWHXQAFWKWNUTH-KJYVVIDUSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-3,5,6-trimethyloxane-2,4-diol
CID 59897700
(5R)-2,3,4,5,6-pentamethyloxane
CID 59269885
3-methoxy-4,5,6-trimethyloxan-2-ol
CID 58298710
(3R,4R,6S)-2,4,5,6-tetramethyloxan-3-ol
CID 91529675
(2R,4R,5R,6R)-2-tert-butyl-5,6-dimethyl-1,3-dioxan-4-ol
CID 131134310
(3R)-5-methyloxolane-2,3,4-triol
CID 59335588
3,4,6-trimethyl-5-pentyloxan-2-ol
CID 59637157
(2S,3R,5S)-5-ethyl-3,4-dimethyloxolan-2-ol
CID 59063589
[(3S,4R,6S)-3,4,5,6-tetramethyloxan-2-yl]methanol
CID 157375693
[(2S,3S,4R,5S,6R)-3,4,5,6-tetramethyloxan-2-yl]methanol
CID 163662814
(3S,4R,5R)-6-methyloxane-2,3,4,5-tetrol
CID 59897521
(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 (5S)-3,4,5,6-tetramethyloxan-2-ol?
The IUPAC name of (5S)-3,4,5,6-tetramethyloxan-2-ol (CID 142821764) is (5S)-3,4,5,6-tetramethyloxan-2-ol.
What is the SMILES notation for (5S)-3,4,5,6-tetramethyloxan-2-ol?
The canonical SMILES for (5S)-3,4,5,6-tetramethyloxan-2-ol is CC1C(O)OC(C)[C@@H](C)C1C.
What is the InChIKey of (5S)-3,4,5,6-tetramethyloxan-2-ol?
The InChIKey is FWHXQAFWKWNUTH-KJYVVIDUSA-N. The full InChI is InChI=1S/C9H18O2/c1-5-6(2)8(4)11-9(10)7(5)3/h5-10H,1-4H3/t5?,6-,7?,8?,9?/m0/s1.
What are the key properties of (5S)-3,4,5,6-tetramethyloxan-2-ol?
(5S)-3,4,5,6-tetramethyloxan-2-ol has a molecular weight of 158.24 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3,4,5,6-tetramethyloxan-2-ol is sourced from PubChem (CID 142821764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).