1-butan-2-yloxy-3-[2-[methoxy(dimethyl)silyl]ethylsulfanyl]propan-2-ol

C12H28O3SSi — CID 59844255

IUPAC1-butan-2-yloxy-3-[2-[methoxy(dimethyl)silyl]ethylsulfanyl]propan-2-ol
SMILESCCC(C)OCC(O)CSCC[Si](C)(C)OC
InChIInChI=1S/C12H28O3SSi/c1-6-11(2)15-9-12(13)10-16-7-8-17(4,5)14-3/h11-13H,6-10H2,1-5H3
InChIKeyPRAJORAHACNLBN-UHFFFAOYSA-N
MW280.51 g/mol
LogP2.75
Rot. Bonds10

About 1-butan-2-yloxy-3-[2-[methoxy(dimethyl)silyl]ethylsulfanyl]propan-2-ol

1-butan-2-yloxy-3-[2-[methoxy(dimethyl)silyl]ethylsulfanyl]propan-2-ol (PubChem CID 59844255) has the molecular formula C12H28O3SSi and a molecular weight of 280.51 g/mol. Its IUPAC name is 1-butan-2-yloxy-3-[2-[methoxy(dimethyl)silyl]ethylsulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-butan-2-yloxy-3-[2-[methoxy(dimethyl)silyl]ethylsulfanyl]propan-2-ol
PubChem CID59844255
Molecular FormulaC12H28O3SSi
Molecular Weight280.51 g/mol
Exact Mass280.15
IUPAC Name1-butan-2-yloxy-3-[2-[methoxy(dimethyl)silyl]ethylsulfanyl]propan-2-ol
SMILESCCC(C)OCC(O)CSCC[Si](C)(C)OC
InChIInChI=1S/C12H28O3SSi/c1-6-11(2)15-9-12(13)10-16-7-8-17(4,5)14-3/h11-13H,6-10H2,1-5H3
InChIKeyPRAJORAHACNLBN-UHFFFAOYSA-N
XLogP2.75
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.51
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-butan-2-yloxy-3-[2-[methoxy(dimethyl)silyl]ethylsulfanyl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-di(butan-2-yloxy)propan-2-ol
CID 22072723
1-(2-methoxyethylsulfanyl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992328
(3-butan-2-yloxy-2-hydroxypropyl)-trimethylazanium
CID 88878402
1-pentylsulfanyl-3-propan-2-yloxypropan-2-ol
CID 103912157
[1-(2-butan-2-yloxyethoxy)-3-hydroxypropan-2-yl] 3-[methoxy(dimethyl)silyl]propanoate
CID 58825827
1-butylsulfanyl-3-methoxypropan-2-ol
CID 13430383
1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]butan-2-ol
CID 20834285
(3-butan-2-yloxy-2-hydroxypropyl) acetate
CID 134215732
1-[3-[dimethoxy(methyl)silyl]propylsulfanyl]propan-2-ol
CID 59435047
1-[1-(1-methoxypropan-2-yloxy)butan-2-yloxy]butan-2-ol
CID 169296791
1-methoxy-3-(3-methoxypropylsulfanyl)propan-2-ol
CID 63930065
1-[2-[methoxy(dimethyl)silyl]ethoxy]propan-2-ol
CID 161271830

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yloxy-3-[2-[methoxy(dimethyl)silyl]ethylsulfanyl]propan-2-ol?
The IUPAC name of 1-butan-2-yloxy-3-[2-[methoxy(dimethyl)silyl]ethylsulfanyl]propan-2-ol (CID 59844255) is 1-butan-2-yloxy-3-[2-[methoxy(dimethyl)silyl]ethylsulfanyl]propan-2-ol.
What is the SMILES notation for 1-butan-2-yloxy-3-[2-[methoxy(dimethyl)silyl]ethylsulfanyl]propan-2-ol?
The canonical SMILES for 1-butan-2-yloxy-3-[2-[methoxy(dimethyl)silyl]ethylsulfanyl]propan-2-ol is CCC(C)OCC(O)CSCC[Si](C)(C)OC.
What is the InChIKey of 1-butan-2-yloxy-3-[2-[methoxy(dimethyl)silyl]ethylsulfanyl]propan-2-ol?
The InChIKey is PRAJORAHACNLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O3SSi/c1-6-11(2)15-9-12(13)10-16-7-8-17(4,5)14-3/h11-13H,6-10H2,1-5H3.
What are the key properties of 1-butan-2-yloxy-3-[2-[methoxy(dimethyl)silyl]ethylsulfanyl]propan-2-ol?
1-butan-2-yloxy-3-[2-[methoxy(dimethyl)silyl]ethylsulfanyl]propan-2-ol has a molecular weight of 280.51 g/mol, XLogP of 2.75, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yloxy-3-[2-[methoxy(dimethyl)silyl]ethylsulfanyl]propan-2-ol is sourced from PubChem (CID 59844255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).