5,5-bis(methylsulfanyl)-3-phenylsulfanyl-5-trimethylsilylpent-2-en-1-ol

C16H26OS3Si — CID 85370948

IUPAC5,5-bis(methylsulfanyl)-3-phenylsulfanyl-5-trimethylsilylpent-2-en-1-ol
SMILESCSC(CC(=CCO)Sc1ccccc1)(SC)[Si](C)(C)C
InChIInChI=1S/C16H26OS3Si/c1-18-16(19-2,21(3,4)5)13-15(11-12-17)20-14-9-7-6-8-10-14/h6-11,17H,12-13H2,1-5H3
InChIKeyKXEOBBXLVXAALH-UHFFFAOYSA-N
MW358.67 g/mol
LogP5.34
Rot. Bonds8

About 5,5-bis(methylsulfanyl)-3-phenylsulfanyl-5-trimethylsilylpent-2-en-1-ol

5,5-bis(methylsulfanyl)-3-phenylsulfanyl-5-trimethylsilylpent-2-en-1-ol (PubChem CID 85370948) has the molecular formula C16H26OS3Si and a molecular weight of 358.67 g/mol. Its IUPAC name is 5,5-bis(methylsulfanyl)-3-phenylsulfanyl-5-trimethylsilylpent-2-en-1-ol.

Molecular Properties

Compound Name5,5-bis(methylsulfanyl)-3-phenylsulfanyl-5-trimethylsilylpent-2-en-1-ol
PubChem CID85370948
Molecular FormulaC16H26OS3Si
Molecular Weight358.67 g/mol
Exact Mass358.09
IUPAC Name5,5-bis(methylsulfanyl)-3-phenylsulfanyl-5-trimethylsilylpent-2-en-1-ol
SMILESCSC(CC(=CCO)Sc1ccccc1)(SC)[Si](C)(C)C
InChIInChI=1S/C16H26OS3Si/c1-18-16(19-2,21(3,4)5)13-15(11-12-17)20-14-9-7-6-8-10-14/h6-11,17H,12-13H2,1-5H3
InChIKeyKXEOBBXLVXAALH-UHFFFAOYSA-N
XLogP5.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.67
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-bis(methylsulfanyl)-3-phenylsulfanyl-5-trimethylsilylpent-2-en-1-ol?
The IUPAC name of 5,5-bis(methylsulfanyl)-3-phenylsulfanyl-5-trimethylsilylpent-2-en-1-ol (CID 85370948) is 5,5-bis(methylsulfanyl)-3-phenylsulfanyl-5-trimethylsilylpent-2-en-1-ol.
What is the SMILES notation for 5,5-bis(methylsulfanyl)-3-phenylsulfanyl-5-trimethylsilylpent-2-en-1-ol?
The canonical SMILES for 5,5-bis(methylsulfanyl)-3-phenylsulfanyl-5-trimethylsilylpent-2-en-1-ol is CSC(CC(=CCO)Sc1ccccc1)(SC)[Si](C)(C)C.
What is the InChIKey of 5,5-bis(methylsulfanyl)-3-phenylsulfanyl-5-trimethylsilylpent-2-en-1-ol?
The InChIKey is KXEOBBXLVXAALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26OS3Si/c1-18-16(19-2,21(3,4)5)13-15(11-12-17)20-14-9-7-6-8-10-14/h6-11,17H,12-13H2,1-5H3.
What are the key properties of 5,5-bis(methylsulfanyl)-3-phenylsulfanyl-5-trimethylsilylpent-2-en-1-ol?
5,5-bis(methylsulfanyl)-3-phenylsulfanyl-5-trimethylsilylpent-2-en-1-ol has a molecular weight of 358.67 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(methylsulfanyl)-3-phenylsulfanyl-5-trimethylsilylpent-2-en-1-ol is sourced from PubChem (CID 85370948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).