10-[tert-butyl(diphenyl)silyl]oxydec-8-yne-1,7-diol

C26H36O3Si — CID 10895162

IUPAC10-[tert-butyl(diphenyl)silyl]oxydec-8-yne-1,7-diol
SMILESCC(C)(C)[Si](OCC#CC(O)CCCCCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H36O3Si/c1-26(2,3)30(24-17-9-6-10-18-24,25-19-11-7-12-20-25)29-22-14-16-23(28)15-8-4-5-13-21-27/h6-7,9-12,17-20,23,27-28H,4-5,8,13,15,21-22H2,1-3H3
InChIKeyJSYPDQRPYJUMIA-UHFFFAOYSA-N
MW424.66 g/mol
LogP3.87
Rot. Bonds10

About 10-[tert-butyl(diphenyl)silyl]oxydec-8-yne-1,7-diol

10-[tert-butyl(diphenyl)silyl]oxydec-8-yne-1,7-diol (PubChem CID 10895162) has the molecular formula C26H36O3Si and a molecular weight of 424.66 g/mol. Its IUPAC name is 10-[tert-butyl(diphenyl)silyl]oxydec-8-yne-1,7-diol.

Molecular Properties

Compound Name10-[tert-butyl(diphenyl)silyl]oxydec-8-yne-1,7-diol
PubChem CID10895162
Molecular FormulaC26H36O3Si
Molecular Weight424.66 g/mol
Exact Mass424.24
IUPAC Name10-[tert-butyl(diphenyl)silyl]oxydec-8-yne-1,7-diol
SMILESCC(C)(C)[Si](OCC#CC(O)CCCCCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H36O3Si/c1-26(2,3)30(24-17-9-6-10-18-24,25-19-11-7-12-20-25)29-22-14-16-23(28)15-8-4-5-13-21-27/h6-7,9-12,17-20,23,27-28H,4-5,8,13,15,21-22H2,1-3H3
InChIKeyJSYPDQRPYJUMIA-UHFFFAOYSA-N
XLogP3.87
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.66
LogP ≤ 53.87
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

8-[tert-butyl(diphenyl)silyl]oxyoct-6-yne-1,5-diol
CID 10883802
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
(6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-(methoxymethoxy)heptan-1-ol
CID 11796895
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
(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
CID 10096198
(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
(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol
CID 90098390
10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(10-hydroxydecyl)amino]decan-1-ol
CID 169273518
3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]hexane-1,6-diol
CID 154423315
tert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane
CID 11634122

Frequently Asked Questions

What is the IUPAC name of 10-[tert-butyl(diphenyl)silyl]oxydec-8-yne-1,7-diol?
The IUPAC name of 10-[tert-butyl(diphenyl)silyl]oxydec-8-yne-1,7-diol (CID 10895162) is 10-[tert-butyl(diphenyl)silyl]oxydec-8-yne-1,7-diol.
What is the SMILES notation for 10-[tert-butyl(diphenyl)silyl]oxydec-8-yne-1,7-diol?
The canonical SMILES for 10-[tert-butyl(diphenyl)silyl]oxydec-8-yne-1,7-diol is CC(C)(C)[Si](OCC#CC(O)CCCCCCO)(c1ccccc1)c1ccccc1.
What is the InChIKey of 10-[tert-butyl(diphenyl)silyl]oxydec-8-yne-1,7-diol?
The InChIKey is JSYPDQRPYJUMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O3Si/c1-26(2,3)30(24-17-9-6-10-18-24,25-19-11-7-12-20-25)29-22-14-16-23(28)15-8-4-5-13-21-27/h6-7,9-12,17-20,23,27-28H,4-5,8,13,15,21-22H2,1-3H3.
What are the key properties of 10-[tert-butyl(diphenyl)silyl]oxydec-8-yne-1,7-diol?
10-[tert-butyl(diphenyl)silyl]oxydec-8-yne-1,7-diol has a molecular weight of 424.66 g/mol, XLogP of 3.87, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[tert-butyl(diphenyl)silyl]oxydec-8-yne-1,7-diol is sourced from PubChem (CID 10895162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).