tert-butyl-dimethyl-[(4R)-1-trimethylsilyltetradec-13-en-1-yn-4-yl]oxysilane

C23H46OSi2 — CID 11858913

IUPACtert-butyl-dimethyl-[(4R)-1-trimethylsilyltetradec-13-en-1-yn-4-yl]oxysilane
SMILESC=CCCCCCCCC[C@H](CC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H46OSi2/c1-10-11-12-13-14-15-16-17-19-22(20-18-21-25(5,6)7)24-26(8,9)23(2,3)4/h10,22H,1,11-17,19-20H2,2-9H3/t22-/m1/s1
InChIKeyZLRZKTGOOMCMSE-JOCHJYFZSA-N
MW394.79 g/mol
LogP7.95
Rot. Bonds12

About tert-butyl-dimethyl-[(4R)-1-trimethylsilyltetradec-13-en-1-yn-4-yl]oxysilane

tert-butyl-dimethyl-[(4R)-1-trimethylsilyltetradec-13-en-1-yn-4-yl]oxysilane (PubChem CID 11858913) has the molecular formula C23H46OSi2 and a molecular weight of 394.79 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(4R)-1-trimethylsilyltetradec-13-en-1-yn-4-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(4R)-1-trimethylsilyltetradec-13-en-1-yn-4-yl]oxysilane
PubChem CID11858913
Molecular FormulaC23H46OSi2
Molecular Weight394.79 g/mol
Exact Mass394.31
IUPAC Nametert-butyl-dimethyl-[(4R)-1-trimethylsilyltetradec-13-en-1-yn-4-yl]oxysilane
SMILESC=CCCCCCCCC[C@H](CC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H46OSi2/c1-10-11-12-13-14-15-16-17-19-22(20-18-21-25(5,6)7)24-26(8,9)23(2,3)4/h10,22H,1,11-17,19-20H2,2-9H3/t22-/m1/s1
InChIKeyZLRZKTGOOMCMSE-JOCHJYFZSA-N
XLogP7.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.79
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl(dec-9-enyloxy)dimethylsilane
CID 10869380
1-Nonen-3-ol, tert-butyldimethylsilyl ether
CID 10868924
1-Triethylsilyloxyundec-10-ene
CID 568575
tert-butyl-[(4Z)-8-[tert-butyl(dimethyl)silyl]oxycyclododec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane
CID 134977934
Silane, (1,1-dimethylethyl)dimethyl(10-undecenyloxy)-
CID 10265922
tert-Butyl(dimethyl)silyl 1-vinyl-2,4-dodecadiynyl ether
CID 385446
11-(Dimethyldodecylsilyloxy)undec-1-ene
CID 531763
1-Triisopropylsilyloxy-10-undecene
CID 535044
tert-butyl-dimethyl-[(4R)-undec-1-en-4-yl]oxysilane
CID 10850655
Tert-butyl-dimethyl-(1-trimethylsilylhept-6-en-1-yn-3-yloxy)silane
CID 11173984
tert-butyl-[(E)-henicos-8-en-6-yn-11-yl]oxy-dimethylsilane
CID 11247187
triethyl-[(Z)-1-trimethylsilylnon-1-en-4-yl]oxysilane
CID 11953737

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(4R)-1-trimethylsilyltetradec-13-en-1-yn-4-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(4R)-1-trimethylsilyltetradec-13-en-1-yn-4-yl]oxysilane (CID 11858913) is tert-butyl-dimethyl-[(4R)-1-trimethylsilyltetradec-13-en-1-yn-4-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(4R)-1-trimethylsilyltetradec-13-en-1-yn-4-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(4R)-1-trimethylsilyltetradec-13-en-1-yn-4-yl]oxysilane is C=CCCCCCCCC[C@H](CC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(4R)-1-trimethylsilyltetradec-13-en-1-yn-4-yl]oxysilane?
The InChIKey is ZLRZKTGOOMCMSE-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H46OSi2/c1-10-11-12-13-14-15-16-17-19-22(20-18-21-25(5,6)7)24-26(8,9)23(2,3)4/h10,22H,1,11-17,19-20H2,2-9H3/t22-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(4R)-1-trimethylsilyltetradec-13-en-1-yn-4-yl]oxysilane?
tert-butyl-dimethyl-[(4R)-1-trimethylsilyltetradec-13-en-1-yn-4-yl]oxysilane has a molecular weight of 394.79 g/mol, XLogP of 7.95, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(4R)-1-trimethylsilyltetradec-13-en-1-yn-4-yl]oxysilane is sourced from PubChem (CID 11858913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).