(2R,3R)-2-(1-ethoxyethoxy)-3-methyl-4-methylsulfanylbutan-1-ol

C10H22O3S — CID 18635995

IUPAC(2R,3R)-2-(1-ethoxyethoxy)-3-methyl-4-methylsulfanylbutan-1-ol
SMILESCCOC(C)O[C@@H](CO)[C@@H](C)CSC
InChIInChI=1S/C10H22O3S/c1-5-12-9(3)13-10(6-11)8(2)7-14-4/h8-11H,5-7H2,1-4H3/t8-,9?,10-/m0/s1
InChIKeyLMHSQXQHDLXQKH-SMILAEQMSA-N
MW222.35 g/mol
LogP1.75
Rot. Bonds8

About (2R,3R)-2-(1-ethoxyethoxy)-3-methyl-4-methylsulfanylbutan-1-ol

(2R,3R)-2-(1-ethoxyethoxy)-3-methyl-4-methylsulfanylbutan-1-ol (PubChem CID 18635995) has the molecular formula C10H22O3S and a molecular weight of 222.35 g/mol. Its IUPAC name is (2R,3R)-2-(1-ethoxyethoxy)-3-methyl-4-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name(2R,3R)-2-(1-ethoxyethoxy)-3-methyl-4-methylsulfanylbutan-1-ol
PubChem CID18635995
Molecular FormulaC10H22O3S
Molecular Weight222.35 g/mol
Exact Mass222.13
IUPAC Name(2R,3R)-2-(1-ethoxyethoxy)-3-methyl-4-methylsulfanylbutan-1-ol
SMILESCCOC(C)O[C@@H](CO)[C@@H](C)CSC
InChIInChI=1S/C10H22O3S/c1-5-12-9(3)13-10(6-11)8(2)7-14-4/h8-11H,5-7H2,1-4H3/t8-,9?,10-/m0/s1
InChIKeyLMHSQXQHDLXQKH-SMILAEQMSA-N
XLogP1.75
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,3-Dioxolane-4-methanol, 2-(2-(ethylthio)-1-methylethyl)-2-methyl-
CID 56942
1,3-Dioxolane-4-methanol, 2-methyl-2-(1-methyl-2-(propylthio)ethyl)-
CID 56943
(2R,3S)-2-(1-ethoxyethoxy)-3-methyl-4-methylsulfanylbutan-1-ol
CID 22841176
2-Ethoxy-2-[2-(3-methylbutylsulfanyl)ethoxy]ethanol
CID 88388988
1-[2-(1-Hydroxy-3-methylsulfanylpropoxy)ethoxy]-2-methylpropan-1-ol
CID 89057508
1,1-Diethoxy-3-(ethylsulfanyl)-2-propanol
CID 89106797
1-Ethoxy-2-methyl-4-methylsulfanylbutan-1-ol
CID 91395154
2-[2,3-Dihydroxy-1-[2-(trimethyl-lambda4-sulfanyl)ethoxy]propoxy]butane-1,3-diol
CID 145311583
2-[2-(3,3-Dimethylbutylsulfanyl)-1-methoxyethoxy]butan-1-ol
CID 158918355
Ethane;1-(2-hydroxyethoxy)-2-methyl-3-methylsulfanylpropan-1-ol
CID 177191230
3-(3,3-Diethoxypropylsulfanyl)propane-1,2-diol
CID 79670237
3-(2,2-Diethoxyethylsulfanyl)propane-1,2-diol
CID 79683011

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(1-ethoxyethoxy)-3-methyl-4-methylsulfanylbutan-1-ol?
The IUPAC name of (2R,3R)-2-(1-ethoxyethoxy)-3-methyl-4-methylsulfanylbutan-1-ol (CID 18635995) is (2R,3R)-2-(1-ethoxyethoxy)-3-methyl-4-methylsulfanylbutan-1-ol.
What is the SMILES notation for (2R,3R)-2-(1-ethoxyethoxy)-3-methyl-4-methylsulfanylbutan-1-ol?
The canonical SMILES for (2R,3R)-2-(1-ethoxyethoxy)-3-methyl-4-methylsulfanylbutan-1-ol is CCOC(C)O[C@@H](CO)[C@@H](C)CSC.
What is the InChIKey of (2R,3R)-2-(1-ethoxyethoxy)-3-methyl-4-methylsulfanylbutan-1-ol?
The InChIKey is LMHSQXQHDLXQKH-SMILAEQMSA-N. The full InChI is InChI=1S/C10H22O3S/c1-5-12-9(3)13-10(6-11)8(2)7-14-4/h8-11H,5-7H2,1-4H3/t8-,9?,10-/m0/s1.
What are the key properties of (2R,3R)-2-(1-ethoxyethoxy)-3-methyl-4-methylsulfanylbutan-1-ol?
(2R,3R)-2-(1-ethoxyethoxy)-3-methyl-4-methylsulfanylbutan-1-ol has a molecular weight of 222.35 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(1-ethoxyethoxy)-3-methyl-4-methylsulfanylbutan-1-ol is sourced from PubChem (CID 18635995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).