6-[hydroxy(diphenyl)silyl]-6-methylhept-1-ene-3-thiol

C20H26OSSi — CID 89032425

IUPAC6-[hydroxy(diphenyl)silyl]-6-methylhept-1-ene-3-thiol
SMILESC=CC(S)CCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26OSSi/c1-4-17(22)15-16-20(2,3)23(21,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h4-14,17,21-22H,1,15-16H2,2-3H3
InChIKeyXNEKIISHWQXNCL-UHFFFAOYSA-N
MW342.58 g/mol
LogP3.78
Rot. Bonds7

About 6-[hydroxy(diphenyl)silyl]-6-methylhept-1-ene-3-thiol

6-[hydroxy(diphenyl)silyl]-6-methylhept-1-ene-3-thiol (PubChem CID 89032425) has the molecular formula C20H26OSSi and a molecular weight of 342.58 g/mol. Its IUPAC name is 6-[hydroxy(diphenyl)silyl]-6-methylhept-1-ene-3-thiol.

Molecular Properties

Compound Name6-[hydroxy(diphenyl)silyl]-6-methylhept-1-ene-3-thiol
PubChem CID89032425
Molecular FormulaC20H26OSSi
Molecular Weight342.58 g/mol
Exact Mass342.15
IUPAC Name6-[hydroxy(diphenyl)silyl]-6-methylhept-1-ene-3-thiol
SMILESC=CC(S)CCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26OSSi/c1-4-17(22)15-16-20(2,3)23(21,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h4-14,17,21-22H,1,15-16H2,2-3H3
InChIKeyXNEKIISHWQXNCL-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.58
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[hydroxy(diphenyl)silyl]-6-methylhept-1-ene-3-thiol?
The IUPAC name of 6-[hydroxy(diphenyl)silyl]-6-methylhept-1-ene-3-thiol (CID 89032425) is 6-[hydroxy(diphenyl)silyl]-6-methylhept-1-ene-3-thiol.
What is the SMILES notation for 6-[hydroxy(diphenyl)silyl]-6-methylhept-1-ene-3-thiol?
The canonical SMILES for 6-[hydroxy(diphenyl)silyl]-6-methylhept-1-ene-3-thiol is C=CC(S)CCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-[hydroxy(diphenyl)silyl]-6-methylhept-1-ene-3-thiol?
The InChIKey is XNEKIISHWQXNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26OSSi/c1-4-17(22)15-16-20(2,3)23(21,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h4-14,17,21-22H,1,15-16H2,2-3H3.
What are the key properties of 6-[hydroxy(diphenyl)silyl]-6-methylhept-1-ene-3-thiol?
6-[hydroxy(diphenyl)silyl]-6-methylhept-1-ene-3-thiol has a molecular weight of 342.58 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[hydroxy(diphenyl)silyl]-6-methylhept-1-ene-3-thiol is sourced from PubChem (CID 89032425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).