(Z,3R)-1,1,1-tris(ethylsulfanyl)-6-trimethylsilylhex-5-en-3-ol

C15H32OS3Si — CID 46944471

IUPAC(Z,3R)-1,1,1-tris(ethylsulfanyl)-6-trimethylsilylhex-5-en-3-ol
SMILESCCSC(C[C@H](O)C/C=C\[Si](C)(C)C)(SCC)SCC
InChIInChI=1S/C15H32OS3Si/c1-7-17-15(18-8-2,19-9-3)13-14(16)11-10-12-20(4,5)6/h10,12,14,16H,7-9,11,13H2,1-6H3/b12-10-/t14-/m1/s1
InChIKeyGETWSTOHDGENNV-GAJOTYCWSA-N
MW352.71 g/mol
LogP5.47
Rot. Bonds11

About (Z,3R)-1,1,1-tris(ethylsulfanyl)-6-trimethylsilylhex-5-en-3-ol

(Z,3R)-1,1,1-tris(ethylsulfanyl)-6-trimethylsilylhex-5-en-3-ol (PubChem CID 46944471) has the molecular formula C15H32OS3Si and a molecular weight of 352.71 g/mol. Its IUPAC name is (Z,3R)-1,1,1-tris(ethylsulfanyl)-6-trimethylsilylhex-5-en-3-ol.

Molecular Properties

Compound Name(Z,3R)-1,1,1-tris(ethylsulfanyl)-6-trimethylsilylhex-5-en-3-ol
PubChem CID46944471
Molecular FormulaC15H32OS3Si
Molecular Weight352.71 g/mol
Exact Mass352.14
IUPAC Name(Z,3R)-1,1,1-tris(ethylsulfanyl)-6-trimethylsilylhex-5-en-3-ol
SMILESCCSC(C[C@H](O)C/C=C\[Si](C)(C)C)(SCC)SCC
InChIInChI=1S/C15H32OS3Si/c1-7-17-15(18-8-2,19-9-3)13-14(16)11-10-12-20(4,5)6/h10,12,14,16H,7-9,11,13H2,1-6H3/b12-10-/t14-/m1/s1
InChIKeyGETWSTOHDGENNV-GAJOTYCWSA-N
XLogP5.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.71
LogP ≤ 55.47
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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Related Compounds

(2S)-1-(2-triethylsilyl-1,3-dithian-2-yl)pent-4-en-2-ol
CID 134942308

Frequently Asked Questions

What is the IUPAC name of (Z,3R)-1,1,1-tris(ethylsulfanyl)-6-trimethylsilylhex-5-en-3-ol?
The IUPAC name of (Z,3R)-1,1,1-tris(ethylsulfanyl)-6-trimethylsilylhex-5-en-3-ol (CID 46944471) is (Z,3R)-1,1,1-tris(ethylsulfanyl)-6-trimethylsilylhex-5-en-3-ol.
What is the SMILES notation for (Z,3R)-1,1,1-tris(ethylsulfanyl)-6-trimethylsilylhex-5-en-3-ol?
The canonical SMILES for (Z,3R)-1,1,1-tris(ethylsulfanyl)-6-trimethylsilylhex-5-en-3-ol is CCSC(C[C@H](O)C/C=C\[Si](C)(C)C)(SCC)SCC.
What is the InChIKey of (Z,3R)-1,1,1-tris(ethylsulfanyl)-6-trimethylsilylhex-5-en-3-ol?
The InChIKey is GETWSTOHDGENNV-GAJOTYCWSA-N. The full InChI is InChI=1S/C15H32OS3Si/c1-7-17-15(18-8-2,19-9-3)13-14(16)11-10-12-20(4,5)6/h10,12,14,16H,7-9,11,13H2,1-6H3/b12-10-/t14-/m1/s1.
What are the key properties of (Z,3R)-1,1,1-tris(ethylsulfanyl)-6-trimethylsilylhex-5-en-3-ol?
(Z,3R)-1,1,1-tris(ethylsulfanyl)-6-trimethylsilylhex-5-en-3-ol has a molecular weight of 352.71 g/mol, XLogP of 5.47, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3R)-1,1,1-tris(ethylsulfanyl)-6-trimethylsilylhex-5-en-3-ol is sourced from PubChem (CID 46944471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).