(3,4,5-trimethyl-6-methylsulfanyloxan-2-yl)methanol

C10H20O2S — CID 20660413

IUPAC(3,4,5-trimethyl-6-methylsulfanyloxan-2-yl)methanol
SMILESCSC1OC(CO)C(C)C(C)C1C
InChIInChI=1S/C10H20O2S/c1-6-7(2)9(5-11)12-10(13-4)8(6)3/h6-11H,5H2,1-4H3
InChIKeyBNMLEGNUQDQKFZ-UHFFFAOYSA-N
MW204.33 g/mol
LogP1.97
Rot. Bonds2

About (3,4,5-trimethyl-6-methylsulfanyloxan-2-yl)methanol

(3,4,5-trimethyl-6-methylsulfanyloxan-2-yl)methanol (PubChem CID 20660413) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is (3,4,5-trimethyl-6-methylsulfanyloxan-2-yl)methanol.

Molecular Properties

Compound Name(3,4,5-trimethyl-6-methylsulfanyloxan-2-yl)methanol
PubChem CID20660413
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Name(3,4,5-trimethyl-6-methylsulfanyloxan-2-yl)methanol
SMILESCSC1OC(CO)C(C)C(C)C1C
InChIInChI=1S/C10H20O2S/c1-6-7(2)9(5-11)12-10(13-4)8(6)3/h6-11H,5H2,1-4H3
InChIKeyBNMLEGNUQDQKFZ-UHFFFAOYSA-N
XLogP1.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S,4S,5S)-2-(hydroxymethyl)-6-methylsulfanyloxane-3,4,5-triol
CID 67362044
(2S,3S,4R,5R,6R)-2-(hydroxymethyl)-6-methylsulfanyloxane-3,4,5-triol
CID 51404259
[(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,6S)-2-(azidomethyl)-4,5-dimethyl-6-methylsulfanyloxan-3-ol;carbanide;(3S,4R,6S)-2-(hydroxymethyl)-4,5-dimethyl-6-methylsulfanyloxan-3-ol
CID 160756304
[(2S,3S,4R,5R,6S)-3,4,5-trimethyl-6-propan-2-yloxan-2-yl]methanol
CID 59651572
2-(hydroxymethyl)-4-methyl-6-methylsulfanyloxane-3,4,5-triol
CID 123565446
(2R,5R)-6-(hydroxymethyl)-2,4,5-trimethyloxan-3-ol
CID 168899706
[5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]methanol;bis(nitric acid)
CID 88696106
(2R,3S,4S,5S)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 122527518
(3R,4R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 121426281
(4S,5R)-6-(hydroxymethyl)-3-methyloxane-2,4,5-triol
CID 90196477

Frequently Asked Questions

What is the IUPAC name of (3,4,5-trimethyl-6-methylsulfanyloxan-2-yl)methanol?
The IUPAC name of (3,4,5-trimethyl-6-methylsulfanyloxan-2-yl)methanol (CID 20660413) is (3,4,5-trimethyl-6-methylsulfanyloxan-2-yl)methanol.
What is the SMILES notation for (3,4,5-trimethyl-6-methylsulfanyloxan-2-yl)methanol?
The canonical SMILES for (3,4,5-trimethyl-6-methylsulfanyloxan-2-yl)methanol is CSC1OC(CO)C(C)C(C)C1C.
What is the InChIKey of (3,4,5-trimethyl-6-methylsulfanyloxan-2-yl)methanol?
The InChIKey is BNMLEGNUQDQKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2S/c1-6-7(2)9(5-11)12-10(13-4)8(6)3/h6-11H,5H2,1-4H3.
What are the key properties of (3,4,5-trimethyl-6-methylsulfanyloxan-2-yl)methanol?
(3,4,5-trimethyl-6-methylsulfanyloxan-2-yl)methanol has a molecular weight of 204.33 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4,5-trimethyl-6-methylsulfanyloxan-2-yl)methanol is sourced from PubChem (CID 20660413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).