(2S,3R,4S)-1,1-diphenyl-2-propylsilolane-3,4-diol

C19H24O2Si — CID 11232218

IUPAC(2S,3R,4S)-1,1-diphenyl-2-propylsilolane-3,4-diol
SMILESCCC[C@H]1[C@H](O)[C@H](O)C[Si]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24O2Si/c1-2-9-18-19(21)17(20)14-22(18,15-10-5-3-6-11-15)16-12-7-4-8-13-16/h3-8,10-13,17-21H,2,9,14H2,1H3/t17-,18+,19-/m1/s1
InChIKeyUTCUOFULKDTTGC-CEXWTWQISA-N
MW312.49 g/mol
LogP2.16
Rot. Bonds4

About (2S,3R,4S)-1,1-diphenyl-2-propylsilolane-3,4-diol

(2S,3R,4S)-1,1-diphenyl-2-propylsilolane-3,4-diol (PubChem CID 11232218) has the molecular formula C19H24O2Si and a molecular weight of 312.49 g/mol. Its IUPAC name is (2S,3R,4S)-1,1-diphenyl-2-propylsilolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4S)-1,1-diphenyl-2-propylsilolane-3,4-diol
PubChem CID11232218
Molecular FormulaC19H24O2Si
Molecular Weight312.49 g/mol
Exact Mass312.15
IUPAC Name(2S,3R,4S)-1,1-diphenyl-2-propylsilolane-3,4-diol
SMILESCCC[C@H]1[C@H](O)[C@H](O)C[Si]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24O2Si/c1-2-9-18-19(21)17(20)14-22(18,15-10-5-3-6-11-15)16-12-7-4-8-13-16/h3-8,10-13,17-21H,2,9,14H2,1H3/t17-,18+,19-/m1/s1
InChIKeyUTCUOFULKDTTGC-CEXWTWQISA-N
XLogP2.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.49
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (2S,3R,4S)-1,1-diphenyl-2-propylsilolane-3,4-diol?
The IUPAC name of (2S,3R,4S)-1,1-diphenyl-2-propylsilolane-3,4-diol (CID 11232218) is (2S,3R,4S)-1,1-diphenyl-2-propylsilolane-3,4-diol.
What is the SMILES notation for (2S,3R,4S)-1,1-diphenyl-2-propylsilolane-3,4-diol?
The canonical SMILES for (2S,3R,4S)-1,1-diphenyl-2-propylsilolane-3,4-diol is CCC[C@H]1[C@H](O)[C@H](O)C[Si]1(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3R,4S)-1,1-diphenyl-2-propylsilolane-3,4-diol?
The InChIKey is UTCUOFULKDTTGC-CEXWTWQISA-N. The full InChI is InChI=1S/C19H24O2Si/c1-2-9-18-19(21)17(20)14-22(18,15-10-5-3-6-11-15)16-12-7-4-8-13-16/h3-8,10-13,17-21H,2,9,14H2,1H3/t17-,18+,19-/m1/s1.
What are the key properties of (2S,3R,4S)-1,1-diphenyl-2-propylsilolane-3,4-diol?
(2S,3R,4S)-1,1-diphenyl-2-propylsilolane-3,4-diol has a molecular weight of 312.49 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-1,1-diphenyl-2-propylsilolane-3,4-diol is sourced from PubChem (CID 11232218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).