1-(2-methoxyethylsulfanyl)-3-(1-methoxypropan-2-yloxy)propan-2-ol

C10H22O4S — CID 106992328

IUPAC1-(2-methoxyethylsulfanyl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCCSCC(O)COC(C)COC
InChIInChI=1S/C10H22O4S/c1-9(6-13-3)14-7-10(11)8-15-5-4-12-2/h9-11H,4-8H2,1-3H3
InChIKeyXOMNLQUKGJMMLI-UHFFFAOYSA-N
MW238.35 g/mol
LogP0.78
Rot. Bonds10

About 1-(2-methoxyethylsulfanyl)-3-(1-methoxypropan-2-yloxy)propan-2-ol

1-(2-methoxyethylsulfanyl)-3-(1-methoxypropan-2-yloxy)propan-2-ol (PubChem CID 106992328) has the molecular formula C10H22O4S and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-(2-methoxyethylsulfanyl)-3-(1-methoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethylsulfanyl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
PubChem CID106992328
Molecular FormulaC10H22O4S
Molecular Weight238.35 g/mol
Exact Mass238.12
IUPAC Name1-(2-methoxyethylsulfanyl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCCSCC(O)COC(C)COC
InChIInChI=1S/C10H22O4S/c1-9(6-13-3)14-7-10(11)8-15-5-4-12-2/h9-11H,4-8H2,1-3H3
InChIKeyXOMNLQUKGJMMLI-UHFFFAOYSA-N
XLogP0.78
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
1-methoxy-3-(3-methoxypropylsulfanyl)propan-2-ol
CID 63930065
1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]butan-2-ol
CID 20834285
3-hydroxy-4-(2-methoxyethylsulfanyl)butanoic acid
CID 82775924
1-methoxy-3-(2-methylpropylsulfanyl)propan-2-ol
CID 63928593
1-butan-2-yloxy-3-[2-[methoxy(dimethyl)silyl]ethylsulfanyl]propan-2-ol
CID 59844255
1-[3-[2-hydroxy-3-(2-methoxyethylsulfanyl)propoxy]phenoxy]-3-(2-methoxyethylsulfanyl)propan-2-ol
CID 23389602
1-butylsulfanyl-3-methoxypropan-2-ol
CID 13430383
1-[bis(2-methoxyethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991830
1-(4-bromophenyl)sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992332
1-(1-methoxypropan-2-yloxy)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol
CID 106992487
1-(1-methoxypropan-2-yloxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 106989964

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylsulfanyl)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-(2-methoxyethylsulfanyl)-3-(1-methoxypropan-2-yloxy)propan-2-ol (CID 106992328) is 1-(2-methoxyethylsulfanyl)-3-(1-methoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethylsulfanyl)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-(2-methoxyethylsulfanyl)-3-(1-methoxypropan-2-yloxy)propan-2-ol is COCCSCC(O)COC(C)COC.
What is the InChIKey of 1-(2-methoxyethylsulfanyl)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The InChIKey is XOMNLQUKGJMMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4S/c1-9(6-13-3)14-7-10(11)8-15-5-4-12-2/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-(2-methoxyethylsulfanyl)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
1-(2-methoxyethylsulfanyl)-3-(1-methoxypropan-2-yloxy)propan-2-ol has a molecular weight of 238.35 g/mol, XLogP of 0.78, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylsulfanyl)-3-(1-methoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 106992328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).