16-[tert-butyl(diphenyl)silyl]oxyhexadec-8-yn-7-ol

C32H48O2Si — CID 134846276

IUPAC16-[tert-butyl(diphenyl)silyl]oxyhexadec-8-yn-7-ol
SMILESCCCCCCC(O)C#CCCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H48O2Si/c1-5-6-7-15-22-29(33)23-16-11-9-8-10-12-21-28-34-35(32(2,3)4,30-24-17-13-18-25-30)31-26-19-14-20-27-31/h13-14,17-20,24-27,29,33H,5-12,15,21-22,28H2,1-4H3
InChIKeyDLJJEKDSMYBIHH-UHFFFAOYSA-N
MW492.82 g/mol
LogP7.24
Rot. Bonds15

About 16-[tert-butyl(diphenyl)silyl]oxyhexadec-8-yn-7-ol

16-[tert-butyl(diphenyl)silyl]oxyhexadec-8-yn-7-ol (PubChem CID 134846276) has the molecular formula C32H48O2Si and a molecular weight of 492.82 g/mol. Its IUPAC name is 16-[tert-butyl(diphenyl)silyl]oxyhexadec-8-yn-7-ol.

Molecular Properties

Compound Name16-[tert-butyl(diphenyl)silyl]oxyhexadec-8-yn-7-ol
PubChem CID134846276
Molecular FormulaC32H48O2Si
Molecular Weight492.82 g/mol
Exact Mass492.34
IUPAC Name16-[tert-butyl(diphenyl)silyl]oxyhexadec-8-yn-7-ol
SMILESCCCCCCC(O)C#CCCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H48O2Si/c1-5-6-7-15-22-29(33)23-16-11-9-8-10-12-21-28-34-35(32(2,3)4,30-24-17-13-18-25-30)31-26-19-14-20-27-31/h13-14,17-20,24-27,29,33H,5-12,15,21-22,28H2,1-4H3
InChIKeyDLJJEKDSMYBIHH-UHFFFAOYSA-N
XLogP7.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.82
LogP ≤ 57.24
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl-cycloheptyloxy-diphenylsilane
CID 90682026
6-((tert-Butyldiphenylsilyl)oxy)hexan-1-ol
CID 11013734
5-(tert-Butyldiphenylsilyloxy)pentan-1-ol
CID 10925936
6-[Tert-butyl(diphenyl)silyl]oxyhexan-2-ol
CID 11783240
(S)-1-[(tert-Butyldiphenylsilyl)oxy]-3-butyn-2-ol
CID 14778754
9-[Tert-butyl(diphenyl)silyl]oxynonan-1-ol
CID 14940128
4-((tert-Butyldiphenylsilyl)oxy)but-2-yn-1-ol
CID 59234967
Silane, diphenyl(2-fluoroethoxy)octadecyloxy-
CID 91717520
4-[Tert-butyl(diphenyl)silyl]oxy-5-fluoropentan-1-ol
CID 138975569
(2R)-1-(tert-Butyldiphenylsilyloxy)-2-hydroxy-hex-1-ene
CID 11279685
(Z,6S)-6-[tert-butyl(diphenyl)silyl]oxyhept-4-en-1-ol
CID 15249293
2,2-Diphenyl-1,3-dioxa-2-silacyclotricos-13-yne
CID 9935327

Frequently Asked Questions

What is the IUPAC name of 16-[tert-butyl(diphenyl)silyl]oxyhexadec-8-yn-7-ol?
The IUPAC name of 16-[tert-butyl(diphenyl)silyl]oxyhexadec-8-yn-7-ol (CID 134846276) is 16-[tert-butyl(diphenyl)silyl]oxyhexadec-8-yn-7-ol.
What is the SMILES notation for 16-[tert-butyl(diphenyl)silyl]oxyhexadec-8-yn-7-ol?
The canonical SMILES for 16-[tert-butyl(diphenyl)silyl]oxyhexadec-8-yn-7-ol is CCCCCCC(O)C#CCCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 16-[tert-butyl(diphenyl)silyl]oxyhexadec-8-yn-7-ol?
The InChIKey is DLJJEKDSMYBIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48O2Si/c1-5-6-7-15-22-29(33)23-16-11-9-8-10-12-21-28-34-35(32(2,3)4,30-24-17-13-18-25-30)31-26-19-14-20-27-31/h13-14,17-20,24-27,29,33H,5-12,15,21-22,28H2,1-4H3.
What are the key properties of 16-[tert-butyl(diphenyl)silyl]oxyhexadec-8-yn-7-ol?
16-[tert-butyl(diphenyl)silyl]oxyhexadec-8-yn-7-ol has a molecular weight of 492.82 g/mol, XLogP of 7.24, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[tert-butyl(diphenyl)silyl]oxyhexadec-8-yn-7-ol is sourced from PubChem (CID 134846276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).