5-[tert-butyl(diphenyl)silyl]oxypent-2-yn-1-ol

C21H26O2Si — CID 10783232

IUPAC5-[tert-butyl(diphenyl)silyl]oxypent-2-yn-1-ol
SMILESCC(C)(C)[Si](OCCC#CCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26O2Si/c1-21(2,3)24(19-13-7-4-8-14-19,20-15-9-5-10-16-20)23-18-12-6-11-17-22/h4-5,7-10,13-16,22H,12,17-18H2,1-3H3
InChIKeyKUZMWFQZWRRIIL-UHFFFAOYSA-N
MW338.52 g/mol
LogP2.95
Rot. Bonds5

About 5-[tert-butyl(diphenyl)silyl]oxypent-2-yn-1-ol

5-[tert-butyl(diphenyl)silyl]oxypent-2-yn-1-ol (PubChem CID 10783232) has the molecular formula C21H26O2Si and a molecular weight of 338.52 g/mol. Its IUPAC name is 5-[tert-butyl(diphenyl)silyl]oxypent-2-yn-1-ol.

Molecular Properties

Compound Name5-[tert-butyl(diphenyl)silyl]oxypent-2-yn-1-ol
PubChem CID10783232
Molecular FormulaC21H26O2Si
Molecular Weight338.52 g/mol
Exact Mass338.17
IUPAC Name5-[tert-butyl(diphenyl)silyl]oxypent-2-yn-1-ol
SMILESCC(C)(C)[Si](OCCC#CCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26O2Si/c1-21(2,3)24(19-13-7-4-8-14-19,20-15-9-5-10-16-20)23-18-12-6-11-17-22/h4-5,7-10,13-16,22H,12,17-18H2,1-3H3
InChIKeyKUZMWFQZWRRIIL-UHFFFAOYSA-N
XLogP2.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 52.95
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

CID 81284
CID 81284
CID 75705
CID 75705
CID 74576
CID 74576
CID 610226
CID 610226
CID 87366
CID 87366
CID 11177744
CID 11177744
CID 11269862
CID 11269862
CID 11313883
CID 11313883
CID 13637536
CID 13637536
CID 14324871
CID 14324871
CID 170302
CID 170302
CID 4583561
CID 4583561

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(diphenyl)silyl]oxypent-2-yn-1-ol?
The IUPAC name of 5-[tert-butyl(diphenyl)silyl]oxypent-2-yn-1-ol (CID 10783232) is 5-[tert-butyl(diphenyl)silyl]oxypent-2-yn-1-ol.
What is the SMILES notation for 5-[tert-butyl(diphenyl)silyl]oxypent-2-yn-1-ol?
The canonical SMILES for 5-[tert-butyl(diphenyl)silyl]oxypent-2-yn-1-ol is CC(C)(C)[Si](OCCC#CCO)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-[tert-butyl(diphenyl)silyl]oxypent-2-yn-1-ol?
The InChIKey is KUZMWFQZWRRIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O2Si/c1-21(2,3)24(19-13-7-4-8-14-19,20-15-9-5-10-16-20)23-18-12-6-11-17-22/h4-5,7-10,13-16,22H,12,17-18H2,1-3H3.
What are the key properties of 5-[tert-butyl(diphenyl)silyl]oxypent-2-yn-1-ol?
5-[tert-butyl(diphenyl)silyl]oxypent-2-yn-1-ol has a molecular weight of 338.52 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(diphenyl)silyl]oxypent-2-yn-1-ol is sourced from PubChem (CID 10783232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).