1-phenyl-2-(2-trimethylsilyl-1,3-dithian-2-yl)ethanol

C15H24OS2Si — CID 14508433

IUPAC1-phenyl-2-(2-trimethylsilyl-1,3-dithian-2-yl)ethanol
SMILESC[Si](C)(C)C1(CC(O)c2ccccc2)SCCCS1
InChIInChI=1S/C15H24OS2Si/c1-19(2,3)15(17-10-7-11-18-15)12-14(16)13-8-5-4-6-9-13/h4-6,8-9,14,16H,7,10-12H2,1-3H3
InChIKeyGZOBYLBRTFCWSC-UHFFFAOYSA-N
MW312.58 g/mol
LogP4.55
Rot. Bonds4

About 1-phenyl-2-(2-trimethylsilyl-1,3-dithian-2-yl)ethanol

1-phenyl-2-(2-trimethylsilyl-1,3-dithian-2-yl)ethanol (PubChem CID 14508433) has the molecular formula C15H24OS2Si and a molecular weight of 312.58 g/mol. Its IUPAC name is 1-phenyl-2-(2-trimethylsilyl-1,3-dithian-2-yl)ethanol.

Molecular Properties

Compound Name1-phenyl-2-(2-trimethylsilyl-1,3-dithian-2-yl)ethanol
PubChem CID14508433
Molecular FormulaC15H24OS2Si
Molecular Weight312.58 g/mol
Exact Mass312.10
IUPAC Name1-phenyl-2-(2-trimethylsilyl-1,3-dithian-2-yl)ethanol
SMILESC[Si](C)(C)C1(CC(O)c2ccccc2)SCCCS1
InChIInChI=1S/C15H24OS2Si/c1-19(2,3)15(17-10-7-11-18-15)12-14(16)13-8-5-4-6-9-13/h4-6,8-9,14,16H,7,10-12H2,1-3H3
InChIKeyGZOBYLBRTFCWSC-UHFFFAOYSA-N
XLogP4.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.58
LogP ≤ 54.55
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

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CID 319249
(2S,4R,6S)-2-(ethylsulfanylmethyl)-6-methyl-4-phenyloxan-4-ol
CID 46223819
1-(1,1,4,4-Tetramethyl-2,3-dihydro-1,4-benzodisilin-6-yl)ethanol
CID 58343651
1-Phenyl-2-(methylthio)ethanol
CID 3014579
2-(Dodecylsulfinyl)-1-phenylethanol
CID 3660327
2-(1,3-Dithian-2-yl)-1-phenylethanol
CID 358342
1-Phenyl-3-(trimethylsilylmethyl)but-3-en-1-ol
CID 10421556
1-Phenyl-3-(phenylthio)propan-1-ol
CID 12488334
1-Phenyl-2-trimethylsilylbuta-2,3-dien-1-ol
CID 12653266
(1R)-1-phenyl-3-phenylsulfanylpropan-1-ol
CID 93514489
(2-(1,3-Dithian-5-yl)phenyl)methanol
CID 374812
(2-(Dimethyl(4-(methylsulfanyl)phenyl)silyl)phenyl)methanol
CID 57416883

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(2-trimethylsilyl-1,3-dithian-2-yl)ethanol?
The IUPAC name of 1-phenyl-2-(2-trimethylsilyl-1,3-dithian-2-yl)ethanol (CID 14508433) is 1-phenyl-2-(2-trimethylsilyl-1,3-dithian-2-yl)ethanol.
What is the SMILES notation for 1-phenyl-2-(2-trimethylsilyl-1,3-dithian-2-yl)ethanol?
The canonical SMILES for 1-phenyl-2-(2-trimethylsilyl-1,3-dithian-2-yl)ethanol is C[Si](C)(C)C1(CC(O)c2ccccc2)SCCCS1.
What is the InChIKey of 1-phenyl-2-(2-trimethylsilyl-1,3-dithian-2-yl)ethanol?
The InChIKey is GZOBYLBRTFCWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24OS2Si/c1-19(2,3)15(17-10-7-11-18-15)12-14(16)13-8-5-4-6-9-13/h4-6,8-9,14,16H,7,10-12H2,1-3H3.
What are the key properties of 1-phenyl-2-(2-trimethylsilyl-1,3-dithian-2-yl)ethanol?
1-phenyl-2-(2-trimethylsilyl-1,3-dithian-2-yl)ethanol has a molecular weight of 312.58 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(2-trimethylsilyl-1,3-dithian-2-yl)ethanol is sourced from PubChem (CID 14508433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).