tert-butyl-dimethyl-[(Z,3S)-oct-5-en-1-yn-3-yl]oxysilane

C14H26OSi — CID 169074612

IUPACtert-butyl-dimethyl-[(Z,3S)-oct-5-en-1-yn-3-yl]oxysilane
SMILESC#C[C@H](C/C=C\CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26OSi/c1-8-10-11-12-13(9-2)15-16(6,7)14(3,4)5/h2,10-11,13H,8,12H2,1,3-7H3/b11-10-/t13-/m1/s1
InChIKeyKOZJRMUONOGXFA-BSYHEUMXSA-N
MW238.45 g/mol
LogP4.37
Rot. Bonds5

About tert-butyl-dimethyl-[(Z,3S)-oct-5-en-1-yn-3-yl]oxysilane

tert-butyl-dimethyl-[(Z,3S)-oct-5-en-1-yn-3-yl]oxysilane (PubChem CID 169074612) has the molecular formula C14H26OSi and a molecular weight of 238.45 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(Z,3S)-oct-5-en-1-yn-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(Z,3S)-oct-5-en-1-yn-3-yl]oxysilane
PubChem CID169074612
Molecular FormulaC14H26OSi
Molecular Weight238.45 g/mol
Exact Mass238.18
IUPAC Nametert-butyl-dimethyl-[(Z,3S)-oct-5-en-1-yn-3-yl]oxysilane
SMILESC#C[C@H](C/C=C\CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26OSi/c1-8-10-11-12-13(9-2)15-16(6,7)14(3,4)5/h2,10-11,13H,8,12H2,1,3-7H3/b11-10-/t13-/m1/s1
InChIKeyKOZJRMUONOGXFA-BSYHEUMXSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.45
LogP ≤ 54.37
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

methyl (2Z,4E,7S)-7-[tert-butyl(dimethyl)silyl]oxynona-2,4-dien-8-ynoate
CID 138968407
tert-butyl-[(3S)-6-chlorohex-1-yn-3-yl]oxy-dimethylsilane
CID 71503804
(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enenitrile
CID 11687136
[(1S,3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylbutoxy]-tert-butyl-dimethylsilane
CID 11271407
tert-butyl-(2-methoxybut-3-ynoxy)-dimethylsilane
CID 131742760
6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylocta-2,7-diyn-1-ol
CID 10612795
tert-butyl-(6-iodohex-4-en-2-yloxy)-dimethylsilane
CID 54066938
(2R,3aR,6aR)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-ol
CID 11046141
tert-butyl-dimethyl-[(Z)-1-phenyloct-5-en-3-yl]oxysilane;carbon dioxide
CID 158278224
(2S,3aR,5R,6aR)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-carbaldehyde
CID 10383519
(3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-ynal
CID 11218406
tert-butyl-dimethyl-pent-4-yn-2-yloxysilane
CID 588048

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(Z,3S)-oct-5-en-1-yn-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(Z,3S)-oct-5-en-1-yn-3-yl]oxysilane (CID 169074612) is tert-butyl-dimethyl-[(Z,3S)-oct-5-en-1-yn-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(Z,3S)-oct-5-en-1-yn-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(Z,3S)-oct-5-en-1-yn-3-yl]oxysilane is C#C[C@H](C/C=C\CC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(Z,3S)-oct-5-en-1-yn-3-yl]oxysilane?
The InChIKey is KOZJRMUONOGXFA-BSYHEUMXSA-N. The full InChI is InChI=1S/C14H26OSi/c1-8-10-11-12-13(9-2)15-16(6,7)14(3,4)5/h2,10-11,13H,8,12H2,1,3-7H3/b11-10-/t13-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(Z,3S)-oct-5-en-1-yn-3-yl]oxysilane?
tert-butyl-dimethyl-[(Z,3S)-oct-5-en-1-yn-3-yl]oxysilane has a molecular weight of 238.45 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(Z,3S)-oct-5-en-1-yn-3-yl]oxysilane is sourced from PubChem (CID 169074612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).