(1S)-1-phenyl-2-[2-[(2S)-2-phenyl-2-trimethylsilyloxyethyl]-1,3-dithian-2-yl]ethanol

C23H32O2S2Si — CID 11015561

IUPAC(1S)-1-phenyl-2-[2-[(2S)-2-phenyl-2-trimethylsilyloxyethyl]-1,3-dithian-2-yl]ethanol
SMILESC[Si](C)(C)O[C@@H](CC1(C[C@H](O)c2ccccc2)SCCCS1)c1ccccc1
InChIInChI=1S/C23H32O2S2Si/c1-28(2,3)25-22(20-13-8-5-9-14-20)18-23(26-15-10-16-27-23)17-21(24)19-11-6-4-7-12-19/h4-9,11-14,21-22,24H,10,15-18H2,1-3H3/t21-,22-/m0/s1
InChIKeyONMYIPNGPAQBQB-VXKWHMMOSA-N
MW432.73 g/mol
LogP6.66
Rot. Bonds8

About (1S)-1-phenyl-2-[2-[(2S)-2-phenyl-2-trimethylsilyloxyethyl]-1,3-dithian-2-yl]ethanol

(1S)-1-phenyl-2-[2-[(2S)-2-phenyl-2-trimethylsilyloxyethyl]-1,3-dithian-2-yl]ethanol (PubChem CID 11015561) has the molecular formula C23H32O2S2Si and a molecular weight of 432.73 g/mol. Its IUPAC name is (1S)-1-phenyl-2-[2-[(2S)-2-phenyl-2-trimethylsilyloxyethyl]-1,3-dithian-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-phenyl-2-[2-[(2S)-2-phenyl-2-trimethylsilyloxyethyl]-1,3-dithian-2-yl]ethanol
PubChem CID11015561
Molecular FormulaC23H32O2S2Si
Molecular Weight432.73 g/mol
Exact Mass432.16
IUPAC Name(1S)-1-phenyl-2-[2-[(2S)-2-phenyl-2-trimethylsilyloxyethyl]-1,3-dithian-2-yl]ethanol
SMILESC[Si](C)(C)O[C@@H](CC1(C[C@H](O)c2ccccc2)SCCCS1)c1ccccc1
InChIInChI=1S/C23H32O2S2Si/c1-28(2,3)25-22(20-13-8-5-9-14-20)18-23(26-15-10-16-27-23)17-21(24)19-11-6-4-7-12-19/h4-9,11-14,21-22,24H,10,15-18H2,1-3H3/t21-,22-/m0/s1
InChIKeyONMYIPNGPAQBQB-VXKWHMMOSA-N
XLogP6.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.73
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-2-[2-[(2S)-2-phenyl-2-trimethylsilyloxyethyl]-1,3-dithian-2-yl]ethanol?
The IUPAC name of (1S)-1-phenyl-2-[2-[(2S)-2-phenyl-2-trimethylsilyloxyethyl]-1,3-dithian-2-yl]ethanol (CID 11015561) is (1S)-1-phenyl-2-[2-[(2S)-2-phenyl-2-trimethylsilyloxyethyl]-1,3-dithian-2-yl]ethanol.
What is the SMILES notation for (1S)-1-phenyl-2-[2-[(2S)-2-phenyl-2-trimethylsilyloxyethyl]-1,3-dithian-2-yl]ethanol?
The canonical SMILES for (1S)-1-phenyl-2-[2-[(2S)-2-phenyl-2-trimethylsilyloxyethyl]-1,3-dithian-2-yl]ethanol is C[Si](C)(C)O[C@@H](CC1(C[C@H](O)c2ccccc2)SCCCS1)c1ccccc1.
What is the InChIKey of (1S)-1-phenyl-2-[2-[(2S)-2-phenyl-2-trimethylsilyloxyethyl]-1,3-dithian-2-yl]ethanol?
The InChIKey is ONMYIPNGPAQBQB-VXKWHMMOSA-N. The full InChI is InChI=1S/C23H32O2S2Si/c1-28(2,3)25-22(20-13-8-5-9-14-20)18-23(26-15-10-16-27-23)17-21(24)19-11-6-4-7-12-19/h4-9,11-14,21-22,24H,10,15-18H2,1-3H3/t21-,22-/m0/s1.
What are the key properties of (1S)-1-phenyl-2-[2-[(2S)-2-phenyl-2-trimethylsilyloxyethyl]-1,3-dithian-2-yl]ethanol?
(1S)-1-phenyl-2-[2-[(2S)-2-phenyl-2-trimethylsilyloxyethyl]-1,3-dithian-2-yl]ethanol has a molecular weight of 432.73 g/mol, XLogP of 6.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-2-[2-[(2S)-2-phenyl-2-trimethylsilyloxyethyl]-1,3-dithian-2-yl]ethanol is sourced from PubChem (CID 11015561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).