3-[dimethyl(phenyl)silyl]-4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol

C23H32OSSi2 — CID 10787862

IUPAC3-[dimethyl(phenyl)silyl]-4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol
SMILESCC(O)C(C(C#C[Si](C)(C)C)Sc1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H32OSSi2/c1-19(24)23(27(5,6)21-15-11-8-12-16-21)22(17-18-26(2,3)4)25-20-13-9-7-10-14-20/h7-16,19,22-24H,1-6H3
InChIKeyJUHLWBGNIMCOQC-UHFFFAOYSA-N
MW412.75 g/mol
LogP5.39
Rot. Bonds6

About 3-[dimethyl(phenyl)silyl]-4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol

3-[dimethyl(phenyl)silyl]-4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol (PubChem CID 10787862) has the molecular formula C23H32OSSi2 and a molecular weight of 412.75 g/mol. Its IUPAC name is 3-[dimethyl(phenyl)silyl]-4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol.

Molecular Properties

Compound Name3-[dimethyl(phenyl)silyl]-4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol
PubChem CID10787862
Molecular FormulaC23H32OSSi2
Molecular Weight412.75 g/mol
Exact Mass412.17
IUPAC Name3-[dimethyl(phenyl)silyl]-4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol
SMILESCC(O)C(C(C#C[Si](C)(C)C)Sc1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H32OSSi2/c1-19(24)23(27(5,6)21-15-11-8-12-16-21)22(17-18-26(2,3)4)25-20-13-9-7-10-14-20/h7-16,19,22-24H,1-6H3
InChIKeyJUHLWBGNIMCOQC-UHFFFAOYSA-N
XLogP5.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.75
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Phenylsulfinyl)-4-(trimethylsilyl)-3-butyn-2-ol
CID 379023
2-(1-Phenylsulfanyl-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol
CID 10567599
4-Phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol
CID 10779007
trimethyl-[(Z)-1-phenylsulfanyl-5-trimethylsilylhex-4-en-2-yl]oxysilane
CID 11068172
3-Phenylsulfanyl-1-trimethylsilylbutan-1-ol
CID 11118630
1,1-Bis(phenylsulfanyl)butan-2-ol
CID 12236118
1-[Dimethyl(phenyl)silyl]-4,6-dimethyl-3-phenylsulfanylnon-1-yn-5-ol
CID 86205251
Tert-butyl-dimethyl-(9-phenylsulfanylnon-5-ynoxy)silane
CID 134977248
(Z)-2-(phenylsulfanylmethyl)-1-triethylsilylhept-1-en-3-ol
CID 135020766
5-Phenylsulfanyloct-6-yn-3-ol
CID 10776077
trans-(1R,2R)-2-(4-trimethylsilylphenyl)sulfanylcyclohexan-1-ol
CID 12190033
3-Phenylsulfanyl-3-trimethylsilylhept-1-en-4-ol
CID 14545576

Frequently Asked Questions

What is the IUPAC name of 3-[dimethyl(phenyl)silyl]-4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol?
The IUPAC name of 3-[dimethyl(phenyl)silyl]-4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol (CID 10787862) is 3-[dimethyl(phenyl)silyl]-4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol.
What is the SMILES notation for 3-[dimethyl(phenyl)silyl]-4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol?
The canonical SMILES for 3-[dimethyl(phenyl)silyl]-4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol is CC(O)C(C(C#C[Si](C)(C)C)Sc1ccccc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of 3-[dimethyl(phenyl)silyl]-4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol?
The InChIKey is JUHLWBGNIMCOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32OSSi2/c1-19(24)23(27(5,6)21-15-11-8-12-16-21)22(17-18-26(2,3)4)25-20-13-9-7-10-14-20/h7-16,19,22-24H,1-6H3.
What are the key properties of 3-[dimethyl(phenyl)silyl]-4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol?
3-[dimethyl(phenyl)silyl]-4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol has a molecular weight of 412.75 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl(phenyl)silyl]-4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol is sourced from PubChem (CID 10787862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).