3-(ethoxymethyl)-5,5-dimethylthian-3-ol

C10H20O2S — CID 79946371

IUPAC3-(ethoxymethyl)-5,5-dimethylthian-3-ol
SMILESCCOCC1(O)CSCC(C)(C)C1
InChIInChI=1S/C10H20O2S/c1-4-12-6-10(11)5-9(2,3)7-13-8-10/h11H,4-8H2,1-3H3
InChIKeyGNELUUWQRPETPC-UHFFFAOYSA-N
MW204.33 g/mol
LogP1.92
Rot. Bonds3

About 3-(ethoxymethyl)-5,5-dimethylthian-3-ol

3-(ethoxymethyl)-5,5-dimethylthian-3-ol (PubChem CID 79946371) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is 3-(ethoxymethyl)-5,5-dimethylthian-3-ol.

Molecular Properties

Compound Name3-(ethoxymethyl)-5,5-dimethylthian-3-ol
PubChem CID79946371
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Name3-(ethoxymethyl)-5,5-dimethylthian-3-ol
SMILESCCOCC1(O)CSCC(C)(C)C1
InChIInChI=1S/C10H20O2S/c1-4-12-6-10(11)5-9(2,3)7-13-8-10/h11H,4-8H2,1-3H3
InChIKeyGNELUUWQRPETPC-UHFFFAOYSA-N
XLogP1.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methoxy-5-methylsulfanyl-2-(propylsulfanylmethyl)pentan-1-ol
CID 89235171
1-[5-[3,3-Dimethylbutyl(dimethyl)-lambda4-sulfanyl]-2-methylpentan-2-yl]oxy-2-methylpropan-2-ol
CID 137516224
2-(2,2-Dimethylpentylsulfanylmethoxy)-2-methylpropan-1-ol
CID 155420588
1-(4,4,6-Trimethyl-1,3-oxathian-2-yl)ethanol
CID 13256874
2-Methyl-4-(oxan-4-ylsulfanyl)butan-2-ol
CID 79361071
5,5-Dimethyl-3-(propoxymethyl)thian-3-ol
CID 79946463
3-(Methoxymethyl)-5,5-dimethylthian-3-ol
CID 79946547
5,5-Dimethyl-3-(propan-2-yloxymethyl)thian-3-ol
CID 79947709
3-(Ethoxymethyl)-5-methylthiolan-3-ol
CID 79949816
5-Methyl-3-(propoxymethyl)thiolan-3-ol
CID 79949930
5-Methyl-3-(propan-2-yloxymethyl)thiolan-3-ol
CID 79950513
2-Methyl-3-(propan-2-yloxymethyl)thian-3-ol
CID 79951767

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-5,5-dimethylthian-3-ol?
The IUPAC name of 3-(ethoxymethyl)-5,5-dimethylthian-3-ol (CID 79946371) is 3-(ethoxymethyl)-5,5-dimethylthian-3-ol.
What is the SMILES notation for 3-(ethoxymethyl)-5,5-dimethylthian-3-ol?
The canonical SMILES for 3-(ethoxymethyl)-5,5-dimethylthian-3-ol is CCOCC1(O)CSCC(C)(C)C1.
What is the InChIKey of 3-(ethoxymethyl)-5,5-dimethylthian-3-ol?
The InChIKey is GNELUUWQRPETPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2S/c1-4-12-6-10(11)5-9(2,3)7-13-8-10/h11H,4-8H2,1-3H3.
What are the key properties of 3-(ethoxymethyl)-5,5-dimethylthian-3-ol?
3-(ethoxymethyl)-5,5-dimethylthian-3-ol has a molecular weight of 204.33 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-5,5-dimethylthian-3-ol is sourced from PubChem (CID 79946371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).