tert-butyl-[(3S,4R)-2,4-dimethyloct-7-en-5-yn-3-yl]oxy-dimethylsilane

C16H30OSi — CID 101168213

IUPACtert-butyl-[(3S,4R)-2,4-dimethyloct-7-en-5-yn-3-yl]oxy-dimethylsilane
SMILESC=CC#C[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C16H30OSi/c1-10-11-12-14(4)15(13(2)3)17-18(8,9)16(5,6)7/h10,13-15H,1H2,2-9H3/t14-,15+/m1/s1
InChIKeyJKWCJBJVOABRTA-CABCVRRESA-N
MW266.50 g/mol
LogP4.86
Rot. Bonds4

About tert-butyl-[(3S,4R)-2,4-dimethyloct-7-en-5-yn-3-yl]oxy-dimethylsilane

tert-butyl-[(3S,4R)-2,4-dimethyloct-7-en-5-yn-3-yl]oxy-dimethylsilane (PubChem CID 101168213) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is tert-butyl-[(3S,4R)-2,4-dimethyloct-7-en-5-yn-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S,4R)-2,4-dimethyloct-7-en-5-yn-3-yl]oxy-dimethylsilane
PubChem CID101168213
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Nametert-butyl-[(3S,4R)-2,4-dimethyloct-7-en-5-yn-3-yl]oxy-dimethylsilane
SMILESC=CC#C[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C16H30OSi/c1-10-11-12-14(4)15(13(2)3)17-18(8,9)16(5,6)7/h10,13-15H,1H2,2-9H3/t14-,15+/m1/s1
InChIKeyJKWCJBJVOABRTA-CABCVRRESA-N
XLogP4.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.50
LogP ≤ 54.86
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

(3R,4S,5R,7S,8S,9R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7,9-tetramethylundeca-1,10-dien-6-one
CID 11648709
(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enenitrile
CID 11687136
tert-butyl-(4,4-dimethylpent-1-en-3-yloxy)-dimethylsilane
CID 14644027
(7S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2,4,6,6-tetramethyldec-9-en-5-one
CID 87331816
tert-butyl-dimethyl-[(3R,4R,5S,6E)-3,5,7-trimethylnona-1,6-dien-8-yn-4-yl]oxysilane
CID 11119907
tert-butyl-(4,4-dimethyl-1-trimethylsilylhept-6-en-1-yn-3-yl)oxy-dimethylsilane
CID 11782316
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enoxy]-dimethylsilane
CID 101029883
4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one
CID 553195
methyl (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enoate
CID 14379848
(3R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,4,6-trimethyldeca-4,9-dien-3-ol
CID 123156116
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-propan-2-ylpent-4-enenitrile
CID 134896031
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 53381041

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S,4R)-2,4-dimethyloct-7-en-5-yn-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3S,4R)-2,4-dimethyloct-7-en-5-yn-3-yl]oxy-dimethylsilane (CID 101168213) is tert-butyl-[(3S,4R)-2,4-dimethyloct-7-en-5-yn-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S,4R)-2,4-dimethyloct-7-en-5-yn-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S,4R)-2,4-dimethyloct-7-en-5-yn-3-yl]oxy-dimethylsilane is C=CC#C[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl-[(3S,4R)-2,4-dimethyloct-7-en-5-yn-3-yl]oxy-dimethylsilane?
The InChIKey is JKWCJBJVOABRTA-CABCVRRESA-N. The full InChI is InChI=1S/C16H30OSi/c1-10-11-12-14(4)15(13(2)3)17-18(8,9)16(5,6)7/h10,13-15H,1H2,2-9H3/t14-,15+/m1/s1.
What are the key properties of tert-butyl-[(3S,4R)-2,4-dimethyloct-7-en-5-yn-3-yl]oxy-dimethylsilane?
tert-butyl-[(3S,4R)-2,4-dimethyloct-7-en-5-yn-3-yl]oxy-dimethylsilane has a molecular weight of 266.50 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S,4R)-2,4-dimethyloct-7-en-5-yn-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 101168213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).