(4S,6S)-6-[tert-butyl(diphenyl)silyl]oxynon-1-en-4-ol

C25H36O2Si — CID 24828226

IUPAC(4S,6S)-6-[tert-butyl(diphenyl)silyl]oxynon-1-en-4-ol
SMILESC=CC[C@H](O)C[C@H](CCC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H36O2Si/c1-6-14-21(26)20-22(15-7-2)27-28(25(3,4)5,23-16-10-8-11-17-23)24-18-12-9-13-19-24/h6,8-13,16-19,21-22,26H,1,7,14-15,20H2,2-5H3/t21-,22-/m0/s1
InChIKeyOZWIBPVHLWXUED-VXKWHMMOSA-N
MW396.65 g/mol
LogP5.06
Rot. Bonds10

About (4S,6S)-6-[tert-butyl(diphenyl)silyl]oxynon-1-en-4-ol

(4S,6S)-6-[tert-butyl(diphenyl)silyl]oxynon-1-en-4-ol (PubChem CID 24828226) has the molecular formula C25H36O2Si and a molecular weight of 396.65 g/mol. Its IUPAC name is (4S,6S)-6-[tert-butyl(diphenyl)silyl]oxynon-1-en-4-ol.

Molecular Properties

Compound Name(4S,6S)-6-[tert-butyl(diphenyl)silyl]oxynon-1-en-4-ol
PubChem CID24828226
Molecular FormulaC25H36O2Si
Molecular Weight396.65 g/mol
Exact Mass396.25
IUPAC Name(4S,6S)-6-[tert-butyl(diphenyl)silyl]oxynon-1-en-4-ol
SMILESC=CC[C@H](O)C[C@H](CCC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H36O2Si/c1-6-14-21(26)20-22(15-7-2)27-28(25(3,4)5,23-16-10-8-11-17-23)24-18-12-9-13-19-24/h6,8-13,16-19,21-22,26H,1,7,14-15,20H2,2-5H3/t21-,22-/m0/s1
InChIKeyOZWIBPVHLWXUED-VXKWHMMOSA-N
XLogP5.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.65
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,6S)-6-[tert-butyl(diphenyl)silyl]oxynon-1-en-4-ol?
The IUPAC name of (4S,6S)-6-[tert-butyl(diphenyl)silyl]oxynon-1-en-4-ol (CID 24828226) is (4S,6S)-6-[tert-butyl(diphenyl)silyl]oxynon-1-en-4-ol.
What is the SMILES notation for (4S,6S)-6-[tert-butyl(diphenyl)silyl]oxynon-1-en-4-ol?
The canonical SMILES for (4S,6S)-6-[tert-butyl(diphenyl)silyl]oxynon-1-en-4-ol is C=CC[C@H](O)C[C@H](CCC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (4S,6S)-6-[tert-butyl(diphenyl)silyl]oxynon-1-en-4-ol?
The InChIKey is OZWIBPVHLWXUED-VXKWHMMOSA-N. The full InChI is InChI=1S/C25H36O2Si/c1-6-14-21(26)20-22(15-7-2)27-28(25(3,4)5,23-16-10-8-11-17-23)24-18-12-9-13-19-24/h6,8-13,16-19,21-22,26H,1,7,14-15,20H2,2-5H3/t21-,22-/m0/s1.
What are the key properties of (4S,6S)-6-[tert-butyl(diphenyl)silyl]oxynon-1-en-4-ol?
(4S,6S)-6-[tert-butyl(diphenyl)silyl]oxynon-1-en-4-ol has a molecular weight of 396.65 g/mol, XLogP of 5.06, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-6-[tert-butyl(diphenyl)silyl]oxynon-1-en-4-ol is sourced from PubChem (CID 24828226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).