8-[tert-butyl(diphenyl)silyl]oxyoct-6-yne-1,5-diol

C24H32O3Si — CID 10883802

IUPAC8-[tert-butyl(diphenyl)silyl]oxyoct-6-yne-1,5-diol
SMILESCC(C)(C)[Si](OCC#CC(O)CCCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32O3Si/c1-24(2,3)28(22-15-6-4-7-16-22,23-17-8-5-9-18-23)27-20-12-14-21(26)13-10-11-19-25/h4-9,15-18,21,25-26H,10-11,13,19-20H2,1-3H3
InChIKeyCLJCMBAHYSHWTR-UHFFFAOYSA-N
MW396.60 g/mol
LogP3.09
Rot. Bonds8

About 8-[tert-butyl(diphenyl)silyl]oxyoct-6-yne-1,5-diol

8-[tert-butyl(diphenyl)silyl]oxyoct-6-yne-1,5-diol (PubChem CID 10883802) has the molecular formula C24H32O3Si and a molecular weight of 396.60 g/mol. Its IUPAC name is 8-[tert-butyl(diphenyl)silyl]oxyoct-6-yne-1,5-diol.

Molecular Properties

Compound Name8-[tert-butyl(diphenyl)silyl]oxyoct-6-yne-1,5-diol
PubChem CID10883802
Molecular FormulaC24H32O3Si
Molecular Weight396.60 g/mol
Exact Mass396.21
IUPAC Name8-[tert-butyl(diphenyl)silyl]oxyoct-6-yne-1,5-diol
SMILESCC(C)(C)[Si](OCC#CC(O)CCCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32O3Si/c1-24(2,3)28(22-15-6-4-7-16-22,23-17-8-5-9-18-23)27-20-12-14-21(26)13-10-11-19-25/h4-9,15-18,21,25-26H,10-11,13,19-20H2,1-3H3
InChIKeyCLJCMBAHYSHWTR-UHFFFAOYSA-N
XLogP3.09
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.60
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10-[tert-butyl(diphenyl)silyl]oxydec-8-yne-1,7-diol
CID 10895162
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol
CID 132916775
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-1-ol
CID 73077971
3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]hexane-1,6-diol
CID 154423315
1,9-bis[[tert-butyl(diphenyl)silyl]oxy]deca-2,7-diyn-5-ol
CID 11125188
(6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-(methoxymethoxy)heptan-1-ol
CID 11796895
(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
CID 10096198
6-[tert-butyl(diphenyl)silyl]oxy-5-(3-methylbutylamino)hexan-1-ol
CID 123627737
(3S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhexan-1-ol
CID 14704794

Frequently Asked Questions

What is the IUPAC name of 8-[tert-butyl(diphenyl)silyl]oxyoct-6-yne-1,5-diol?
The IUPAC name of 8-[tert-butyl(diphenyl)silyl]oxyoct-6-yne-1,5-diol (CID 10883802) is 8-[tert-butyl(diphenyl)silyl]oxyoct-6-yne-1,5-diol.
What is the SMILES notation for 8-[tert-butyl(diphenyl)silyl]oxyoct-6-yne-1,5-diol?
The canonical SMILES for 8-[tert-butyl(diphenyl)silyl]oxyoct-6-yne-1,5-diol is CC(C)(C)[Si](OCC#CC(O)CCCCO)(c1ccccc1)c1ccccc1.
What is the InChIKey of 8-[tert-butyl(diphenyl)silyl]oxyoct-6-yne-1,5-diol?
The InChIKey is CLJCMBAHYSHWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O3Si/c1-24(2,3)28(22-15-6-4-7-16-22,23-17-8-5-9-18-23)27-20-12-14-21(26)13-10-11-19-25/h4-9,15-18,21,25-26H,10-11,13,19-20H2,1-3H3.
What are the key properties of 8-[tert-butyl(diphenyl)silyl]oxyoct-6-yne-1,5-diol?
8-[tert-butyl(diphenyl)silyl]oxyoct-6-yne-1,5-diol has a molecular weight of 396.60 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[tert-butyl(diphenyl)silyl]oxyoct-6-yne-1,5-diol is sourced from PubChem (CID 10883802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).