tert-butyl-[(4S,6R)-6,10-dimethylundec-9-en-2-yn-4-yl]oxy-dimethylsilane

C19H36OSi — CID 15672916

IUPACtert-butyl-[(4S,6R)-6,10-dimethylundec-9-en-2-yn-4-yl]oxy-dimethylsilane
SMILESCC#C[C@H](C[C@H](C)CCC=C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36OSi/c1-10-12-18(20-21(8,9)19(5,6)7)15-17(4)14-11-13-16(2)3/h13,17-18H,11,14-15H2,1-9H3/t17-,18-/m1/s1
InChIKeyCLISOXSELUWBDX-QZTJIDSGSA-N
MW308.58 g/mol
LogP6.17
Rot. Bonds7

About tert-butyl-[(4S,6R)-6,10-dimethylundec-9-en-2-yn-4-yl]oxy-dimethylsilane

tert-butyl-[(4S,6R)-6,10-dimethylundec-9-en-2-yn-4-yl]oxy-dimethylsilane (PubChem CID 15672916) has the molecular formula C19H36OSi and a molecular weight of 308.58 g/mol. Its IUPAC name is tert-butyl-[(4S,6R)-6,10-dimethylundec-9-en-2-yn-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4S,6R)-6,10-dimethylundec-9-en-2-yn-4-yl]oxy-dimethylsilane
PubChem CID15672916
Molecular FormulaC19H36OSi
Molecular Weight308.58 g/mol
Exact Mass308.25
IUPAC Nametert-butyl-[(4S,6R)-6,10-dimethylundec-9-en-2-yn-4-yl]oxy-dimethylsilane
SMILESCC#C[C@H](C[C@H](C)CCC=C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36OSi/c1-10-12-18(20-21(8,9)19(5,6)7)15-17(4)14-11-13-16(2)3/h13,17-18H,11,14-15H2,1-9H3/t17-,18-/m1/s1
InChIKeyCLISOXSELUWBDX-QZTJIDSGSA-N
XLogP6.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.58
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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

(S)-tert-butyl((3,7-dimethyloct-6-en-1-yl)oxy)dimethylsilane
CID 22882877
beta-Citronellol, TBDMS derivative
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3,7-Dimethyloct-6-enoxy(triethyl)silane
CID 72751260
tert-butyl-[[(10Z)-7,7-dimethyl-4-bicyclo[9.4.0]pentadeca-1(15),10-dien-2,8-diynyl]oxy]-dimethylsilane
CID 10808070
tert-butyl-[(1R,2R)-2-but-3-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane
CID 11021324
tert-butyl-dimethyl-[(3S,4R)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
CID 11045214
tert-butyl-dimethyl-[(5S,6R)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane
CID 11077915
tert-butyl-[(1S)-1-[(1R,2E)-cycloundec-2-en-1-yl]but-3-ynoxy]-dimethylsilane
CID 11232927
Tert-butyl(dimethyl)silyl (3R)-3,7-dimethyl-6-octenyl ether
CID 14336178
tert-butyl-[(E,1S,2R)-1-cyclohexyl-2-methyltridec-5-en-3-ynoxy]-dimethylsilane
CID 101168210
tert-butyl-[(3S)-3,11-dimethyldodec-10-en-6-ynoxy]-dimethylsilane
CID 134844349
tert-butyl-[1-[(2E)-cycloundec-2-en-1-yl]but-3-ynoxy]-dimethylsilane
CID 134887179

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4S,6R)-6,10-dimethylundec-9-en-2-yn-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(4S,6R)-6,10-dimethylundec-9-en-2-yn-4-yl]oxy-dimethylsilane (CID 15672916) is tert-butyl-[(4S,6R)-6,10-dimethylundec-9-en-2-yn-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4S,6R)-6,10-dimethylundec-9-en-2-yn-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(4S,6R)-6,10-dimethylundec-9-en-2-yn-4-yl]oxy-dimethylsilane is CC#C[C@H](C[C@H](C)CCC=C(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(4S,6R)-6,10-dimethylundec-9-en-2-yn-4-yl]oxy-dimethylsilane?
The InChIKey is CLISOXSELUWBDX-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H36OSi/c1-10-12-18(20-21(8,9)19(5,6)7)15-17(4)14-11-13-16(2)3/h13,17-18H,11,14-15H2,1-9H3/t17-,18-/m1/s1.
What are the key properties of tert-butyl-[(4S,6R)-6,10-dimethylundec-9-en-2-yn-4-yl]oxy-dimethylsilane?
tert-butyl-[(4S,6R)-6,10-dimethylundec-9-en-2-yn-4-yl]oxy-dimethylsilane has a molecular weight of 308.58 g/mol, XLogP of 6.17, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4S,6R)-6,10-dimethylundec-9-en-2-yn-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 15672916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).