(3S)-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-3-ol

C24H34O2Si — CID 174143208

IUPAC(3S)-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-3-ol
SMILESC=C[C@@H](O)CCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H34O2Si/c1-5-21(25)15-9-8-14-20-26-27(24(2,3)4,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-7,10-13,16-19,21,25H,1,8-9,14-15,20H2,2-4H3/t21-/m1/s1
InChIKeyYGLLFDAYINQFTR-OAQYLSRUSA-N
MW382.62 g/mol
LogP4.67
Rot. Bonds10

About (3S)-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-3-ol

(3S)-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-3-ol (PubChem CID 174143208) has the molecular formula C24H34O2Si and a molecular weight of 382.62 g/mol. Its IUPAC name is (3S)-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-3-ol.

Molecular Properties

Compound Name(3S)-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-3-ol
PubChem CID174143208
Molecular FormulaC24H34O2Si
Molecular Weight382.62 g/mol
Exact Mass382.23
IUPAC Name(3S)-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-3-ol
SMILESC=C[C@@H](O)CCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H34O2Si/c1-5-21(25)15-9-8-14-20-26-27(24(2,3)4,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-7,10-13,16-19,21,25H,1,8-9,14-15,20H2,2-4H3/t21-/m1/s1
InChIKeyYGLLFDAYINQFTR-OAQYLSRUSA-N
XLogP4.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.62
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

12-[tert-butyl(diphenyl)silyl]oxydodec-1-en-6-ol
CID 168962199
tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
(3R,4S)-1,1,3-tribromo-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-4-ol
CID 11828260
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958
(3R,6R)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-3-ol
CID 56971432
(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
CID 10096198
(3S,4S,5R,6R)-1-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyloct-7-ene-3,5-diol
CID 10788581
tert-butyl (3R)-17-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyheptadecanoate
CID 11365406
tert-butyl-(10-iododecoxy)-diphenylsilane
CID 10994946
tert-butyl-(5-iodopentoxy)-diphenylsilane
CID 10003991
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390

Frequently Asked Questions

What is the IUPAC name of (3S)-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-3-ol?
The IUPAC name of (3S)-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-3-ol (CID 174143208) is (3S)-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-3-ol.
What is the SMILES notation for (3S)-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-3-ol?
The canonical SMILES for (3S)-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-3-ol is C=C[C@@H](O)CCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (3S)-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-3-ol?
The InChIKey is YGLLFDAYINQFTR-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H34O2Si/c1-5-21(25)15-9-8-14-20-26-27(24(2,3)4,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-7,10-13,16-19,21,25H,1,8-9,14-15,20H2,2-4H3/t21-/m1/s1.
What are the key properties of (3S)-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-3-ol?
(3S)-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-3-ol has a molecular weight of 382.62 g/mol, XLogP of 4.67, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-3-ol is sourced from PubChem (CID 174143208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).