5-[hydroxy(diphenyl)silyl]-5-methyl-1-sulfanylhexan-2-ol

C19H26O2SSi — CID 89193381

IUPAC5-[hydroxy(diphenyl)silyl]-5-methyl-1-sulfanylhexan-2-ol
SMILESCC(C)(CCC(O)CS)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H26O2SSi/c1-19(2,14-13-16(20)15-22)23(21,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,20-22H,13-15H2,1-2H3
InChIKeyASBJPNLJIAZUAQ-UHFFFAOYSA-N
MW346.57 g/mol
LogP2.59
Rot. Bonds7

About 5-[hydroxy(diphenyl)silyl]-5-methyl-1-sulfanylhexan-2-ol

5-[hydroxy(diphenyl)silyl]-5-methyl-1-sulfanylhexan-2-ol (PubChem CID 89193381) has the molecular formula C19H26O2SSi and a molecular weight of 346.57 g/mol. Its IUPAC name is 5-[hydroxy(diphenyl)silyl]-5-methyl-1-sulfanylhexan-2-ol.

Molecular Properties

Compound Name5-[hydroxy(diphenyl)silyl]-5-methyl-1-sulfanylhexan-2-ol
PubChem CID89193381
Molecular FormulaC19H26O2SSi
Molecular Weight346.57 g/mol
Exact Mass346.14
IUPAC Name5-[hydroxy(diphenyl)silyl]-5-methyl-1-sulfanylhexan-2-ol
SMILESCC(C)(CCC(O)CS)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H26O2SSi/c1-19(2,14-13-16(20)15-22)23(21,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,20-22H,13-15H2,1-2H3
InChIKeyASBJPNLJIAZUAQ-UHFFFAOYSA-N
XLogP2.59
TPSA40.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.57
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[hydroxy(diphenyl)silyl]-5-methyl-1-sulfanylhexan-2-ol?
The IUPAC name of 5-[hydroxy(diphenyl)silyl]-5-methyl-1-sulfanylhexan-2-ol (CID 89193381) is 5-[hydroxy(diphenyl)silyl]-5-methyl-1-sulfanylhexan-2-ol.
What is the SMILES notation for 5-[hydroxy(diphenyl)silyl]-5-methyl-1-sulfanylhexan-2-ol?
The canonical SMILES for 5-[hydroxy(diphenyl)silyl]-5-methyl-1-sulfanylhexan-2-ol is CC(C)(CCC(O)CS)[Si](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-[hydroxy(diphenyl)silyl]-5-methyl-1-sulfanylhexan-2-ol?
The InChIKey is ASBJPNLJIAZUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2SSi/c1-19(2,14-13-16(20)15-22)23(21,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,20-22H,13-15H2,1-2H3.
What are the key properties of 5-[hydroxy(diphenyl)silyl]-5-methyl-1-sulfanylhexan-2-ol?
5-[hydroxy(diphenyl)silyl]-5-methyl-1-sulfanylhexan-2-ol has a molecular weight of 346.57 g/mol, XLogP of 2.59, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydroxy(diphenyl)silyl]-5-methyl-1-sulfanylhexan-2-ol is sourced from PubChem (CID 89193381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).