2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropan-1-ol

C15H26O2SSi — CID 138975551

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC(CO)CSc1ccccc1
InChIInChI=1S/C15H26O2SSi/c1-15(2,3)19(4,5)17-13(11-16)12-18-14-9-7-6-8-10-14/h6-10,13,16H,11-12H2,1-5H3
InChIKeyHCVVMHSXDIVUAQ-UHFFFAOYSA-N
MW298.52 g/mol
LogP4.16
Rot. Bonds6

About 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropan-1-ol

2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropan-1-ol (PubChem CID 138975551) has the molecular formula C15H26O2SSi and a molecular weight of 298.52 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropan-1-ol.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropan-1-ol
PubChem CID138975551
Molecular FormulaC15H26O2SSi
Molecular Weight298.52 g/mol
Exact Mass298.14
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC(CO)CSc1ccccc1
InChIInChI=1S/C15H26O2SSi/c1-15(2,3)19(4,5)17-13(11-16)12-18-14-9-7-6-8-10-14/h6-10,13,16H,11-12H2,1-5H3
InChIKeyHCVVMHSXDIVUAQ-UHFFFAOYSA-N
XLogP4.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.52
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(Phenylthio)-2-propanol
CID 99788
3-(Phenylthio)-1,2-propanediol
CID 21231
Silane, trimethyl[2-(phenylthio)ethoxy]-
CID 553448
2-Butanol, 1-(phenylthio)-
CID 580222
4-(Phenylsulfanyl)-2-butanol
CID 11019506
1-(Phenylsulfanyl)-3-[(propan-2-yl)oxy]propan-2-ol
CID 60670968
3-Methyl-1-(phenylsulfanyl)butan-2-ol
CID 12562878
1-Ethoxy-3-phenylsulfanylpropan-2-ol
CID 2953136
(s)-(+)-5-(Phenylthio)-2-pentanol
CID 10012926
(s)-3-Phenylthio-2-propanol
CID 10855897
(2S,3S)-3-phenylsulfanylbutan-2-ol
CID 15505655
2-Butanol, 1-(phenylthio)-, (R)-
CID 22216311

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropan-1-ol?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropan-1-ol (CID 138975551) is 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropan-1-ol.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropan-1-ol?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropan-1-ol is CC(C)(C)[Si](C)(C)OC(CO)CSc1ccccc1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropan-1-ol?
The InChIKey is HCVVMHSXDIVUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2SSi/c1-15(2,3)19(4,5)17-13(11-16)12-18-14-9-7-6-8-10-14/h6-10,13,16H,11-12H2,1-5H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropan-1-ol?
2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropan-1-ol has a molecular weight of 298.52 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropan-1-ol is sourced from PubChem (CID 138975551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).