1-(2-hydroxyethoxy)-2-methyl-3-methylsulfanylpropan-1-ol

C7H16O3S — CID 177191231

IUPAC1-(2-hydroxyethoxy)-2-methyl-3-methylsulfanylpropan-1-ol
SMILESCSCC(C)C(O)OCCO
InChIInChI=1S/C7H16O3S/c1-6(5-11-2)7(9)10-4-3-8/h6-9H,3-5H2,1-2H3
InChIKeyZWETXOQSYOGAGG-UHFFFAOYSA-N
MW180.27 g/mol
LogP0.31
Rot. Bonds6

About 1-(2-hydroxyethoxy)-2-methyl-3-methylsulfanylpropan-1-ol

1-(2-hydroxyethoxy)-2-methyl-3-methylsulfanylpropan-1-ol (PubChem CID 177191231) has the molecular formula C7H16O3S and a molecular weight of 180.27 g/mol. Its IUPAC name is 1-(2-hydroxyethoxy)-2-methyl-3-methylsulfanylpropan-1-ol.

Molecular Properties

Compound Name1-(2-hydroxyethoxy)-2-methyl-3-methylsulfanylpropan-1-ol
PubChem CID177191231
Molecular FormulaC7H16O3S
Molecular Weight180.27 g/mol
Exact Mass180.08
IUPAC Name1-(2-hydroxyethoxy)-2-methyl-3-methylsulfanylpropan-1-ol
SMILESCSCC(C)C(O)OCCO
InChIInChI=1S/C7H16O3S/c1-6(5-11-2)7(9)10-4-3-8/h6-9H,3-5H2,1-2H3
InChIKeyZWETXOQSYOGAGG-UHFFFAOYSA-N
XLogP0.31
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 50.31
H-Bond Donors ≤ 52
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

2-[3-(2-hydroxyethoxy)butan-2-yloxy]ethanol
CID 14291300
2-(2-hydroxyethoxy)propane-1,1-diol
CID 159544993
(2S)-2,3-dimethyl-4-methylsulfanylbutan-1-ol
CID 88583257
2-[(2S)-3-methylpentan-2-yl]oxyethanol
CID 91428626
(2S)-2-(2-hydroxyethoxy)propan-1-ol
CID 87093044
3-methyl-1-methylsulfanylpentan-2-ol
CID 79444760
2-(3-aminobutan-2-yloxy)ethanol
CID 142952551
2-[hydroxy(methoxy)methoxy]ethanol
CID 88839058
2-butan-2-yloxyethanol;rutherfordium
CID 164705656
2-methyl-1-(3-methylbutoxy)pentan-1-ol
CID 57131480
2-(2-hydroxyethoxy)-4-methylsulfanylbutanoic acid
CID 83224720
1-propoxypropane-1,2,3-triol
CID 19757638

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethoxy)-2-methyl-3-methylsulfanylpropan-1-ol?
The IUPAC name of 1-(2-hydroxyethoxy)-2-methyl-3-methylsulfanylpropan-1-ol (CID 177191231) is 1-(2-hydroxyethoxy)-2-methyl-3-methylsulfanylpropan-1-ol.
What is the SMILES notation for 1-(2-hydroxyethoxy)-2-methyl-3-methylsulfanylpropan-1-ol?
The canonical SMILES for 1-(2-hydroxyethoxy)-2-methyl-3-methylsulfanylpropan-1-ol is CSCC(C)C(O)OCCO.
What is the InChIKey of 1-(2-hydroxyethoxy)-2-methyl-3-methylsulfanylpropan-1-ol?
The InChIKey is ZWETXOQSYOGAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3S/c1-6(5-11-2)7(9)10-4-3-8/h6-9H,3-5H2,1-2H3.
What are the key properties of 1-(2-hydroxyethoxy)-2-methyl-3-methylsulfanylpropan-1-ol?
1-(2-hydroxyethoxy)-2-methyl-3-methylsulfanylpropan-1-ol has a molecular weight of 180.27 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethoxy)-2-methyl-3-methylsulfanylpropan-1-ol is sourced from PubChem (CID 177191231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).