tert-butyl-diphenyl-(5-pyridin-2-ylpent-4-ynoxy)silane

C26H29NOSi — CID 11825519

IUPACtert-butyl-diphenyl-(5-pyridin-2-ylpent-4-ynoxy)silane
SMILESCC(C)(C)[Si](OCCCC#Cc1ccccn1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29NOSi/c1-26(2,3)29(24-17-8-4-9-18-24,25-19-10-5-11-20-25)28-22-14-6-7-15-23-16-12-13-21-27-23/h4-5,8-13,16-21H,6,14,22H2,1-3H3
InChIKeyLYVJUXSNAGFBOZ-UHFFFAOYSA-N
MW399.61 g/mol
LogP4.79
Rot. Bonds6

About tert-butyl-diphenyl-(5-pyridin-2-ylpent-4-ynoxy)silane

tert-butyl-diphenyl-(5-pyridin-2-ylpent-4-ynoxy)silane (PubChem CID 11825519) has the molecular formula C26H29NOSi and a molecular weight of 399.61 g/mol. Its IUPAC name is tert-butyl-diphenyl-(5-pyridin-2-ylpent-4-ynoxy)silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-(5-pyridin-2-ylpent-4-ynoxy)silane
PubChem CID11825519
Molecular FormulaC26H29NOSi
Molecular Weight399.61 g/mol
Exact Mass399.20
IUPAC Nametert-butyl-diphenyl-(5-pyridin-2-ylpent-4-ynoxy)silane
SMILESCC(C)(C)[Si](OCCCC#Cc1ccccn1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29NOSi/c1-26(2,3)29(24-17-8-4-9-18-24,25-19-10-5-11-20-25)28-22-14-6-7-15-23-16-12-13-21-27-23/h4-5,8-13,16-21H,6,14,22H2,1-3H3
InChIKeyLYVJUXSNAGFBOZ-UHFFFAOYSA-N
XLogP4.79
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.61
LogP ≤ 54.79
H-Bond Donors ≤ 50
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-diphenyl-tetradec-8-ynoxysilane
CID 90132306
tert-butyl-[8-(4-methoxyphenyl)oct-7-ynoxy]-diphenylsilane
CID 10412453
6-[tert-butyl(diphenyl)silyl]oxy-1-(2-chloro-3-pyridinyl)hex-2-yn-1-one
CID 153467896
7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol
CID 132916775
9-[tert-butyl(diphenyl)silyl]oxynona-2,5-diyn-4-ol
CID 11991856
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
tert-butyl-hex-3-ynoxy-diphenylsilane
CID 10860665
2-oct-1-ynylpyridine
CID 12931148
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
tert-butyl-(10-iododecoxy)-diphenylsilane
CID 10994946
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-(5-pyridin-2-ylpent-4-ynoxy)silane?
The IUPAC name of tert-butyl-diphenyl-(5-pyridin-2-ylpent-4-ynoxy)silane (CID 11825519) is tert-butyl-diphenyl-(5-pyridin-2-ylpent-4-ynoxy)silane.
What is the SMILES notation for tert-butyl-diphenyl-(5-pyridin-2-ylpent-4-ynoxy)silane?
The canonical SMILES for tert-butyl-diphenyl-(5-pyridin-2-ylpent-4-ynoxy)silane is CC(C)(C)[Si](OCCCC#Cc1ccccn1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-diphenyl-(5-pyridin-2-ylpent-4-ynoxy)silane?
The InChIKey is LYVJUXSNAGFBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NOSi/c1-26(2,3)29(24-17-8-4-9-18-24,25-19-10-5-11-20-25)28-22-14-6-7-15-23-16-12-13-21-27-23/h4-5,8-13,16-21H,6,14,22H2,1-3H3.
What are the key properties of tert-butyl-diphenyl-(5-pyridin-2-ylpent-4-ynoxy)silane?
tert-butyl-diphenyl-(5-pyridin-2-ylpent-4-ynoxy)silane has a molecular weight of 399.61 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-(5-pyridin-2-ylpent-4-ynoxy)silane is sourced from PubChem (CID 11825519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).