tris(2-methylpropyl)-pent-2-en-4-ynoxysilane

C17H32OSi — CID 531260

IUPACtris(2-methylpropyl)-pent-2-en-4-ynoxysilane
SMILESC#CC=CCO[Si](CC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C17H32OSi/c1-8-9-10-11-18-19(12-15(2)3,13-16(4)5)14-17(6)7/h1,9-10,15-17H,11-14H2,2-7H3
InChIKeyQLXZNPWVXHIGAD-UHFFFAOYSA-N
MW280.53 g/mol
LogP5.11
Rot. Bonds9

About tris(2-methylpropyl)-pent-2-en-4-ynoxysilane

tris(2-methylpropyl)-pent-2-en-4-ynoxysilane (PubChem CID 531260) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is tris(2-methylpropyl)-pent-2-en-4-ynoxysilane.

Molecular Properties

Compound Nametris(2-methylpropyl)-pent-2-en-4-ynoxysilane
PubChem CID531260
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Nametris(2-methylpropyl)-pent-2-en-4-ynoxysilane
SMILESC#CC=CCO[Si](CC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C17H32OSi/c1-8-9-10-11-18-19(12-15(2)3,13-16(4)5)14-17(6)7/h1,9-10,15-17H,11-14H2,2-7H3
InChIKeyQLXZNPWVXHIGAD-UHFFFAOYSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.53
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Butene-1,4-diol, 2TBDMS derivative
CID 11141643
tert-butyl(dimethyl)[(2E)-2-penten-4-ynyloxy]silane
CID 10845580
(Z)-2,2,3,3,10,10,11,11-octamethyl-4,9-dioxa-3,10-disiladodec-6-ene
CID 11023522
3-Methyl-1-triisobutylsilyloxybut-2-ene
CID 531259
1-Dimethylisopropylsilyloxypent-2-en-4-yne
CID 531286
1-Tripropylsilyloxypent-2-en-4-yne
CID 531304
1-Trihexylsilyloxypent-2-en-4-yne
CID 531315
1-Tributylsilyloxypent-2-en-4-yne
CID 531334
1-Dimethyldodecylsilyloxypent-2-en-4-yne
CID 531345
tert-butyl-dimethyl-[(Z)-3-methylpent-2-en-4-ynoxy]silane
CID 10262550
tert-butyl-dimethyl-[(E)-3-methylpent-2-en-4-ynoxy]silane
CID 11138386
tert-butyl-dimethyl-[(Z)-non-2-en-4-ynoxy]silane
CID 134889577

Frequently Asked Questions

What is the IUPAC name of tris(2-methylpropyl)-pent-2-en-4-ynoxysilane?
The IUPAC name of tris(2-methylpropyl)-pent-2-en-4-ynoxysilane (CID 531260) is tris(2-methylpropyl)-pent-2-en-4-ynoxysilane.
What is the SMILES notation for tris(2-methylpropyl)-pent-2-en-4-ynoxysilane?
The canonical SMILES for tris(2-methylpropyl)-pent-2-en-4-ynoxysilane is C#CC=CCO[Si](CC(C)C)(CC(C)C)CC(C)C.
What is the InChIKey of tris(2-methylpropyl)-pent-2-en-4-ynoxysilane?
The InChIKey is QLXZNPWVXHIGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32OSi/c1-8-9-10-11-18-19(12-15(2)3,13-16(4)5)14-17(6)7/h1,9-10,15-17H,11-14H2,2-7H3.
What are the key properties of tris(2-methylpropyl)-pent-2-en-4-ynoxysilane?
tris(2-methylpropyl)-pent-2-en-4-ynoxysilane has a molecular weight of 280.53 g/mol, XLogP of 5.11, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylpropyl)-pent-2-en-4-ynoxysilane is sourced from PubChem (CID 531260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).