tert-butyl-dimethyl-[(6E,10E)-3,7,11-trimethyl-14-(oxan-2-yloxy)tetradeca-6,10-dien-1-yn-3-yl]oxysilane

C28H50O3Si — CID 12000505

IUPACtert-butyl-dimethyl-[(6E,10E)-3,7,11-trimethyl-14-(oxan-2-yloxy)tetradeca-6,10-dien-1-yn-3-yl]oxysilane
SMILESC#CC(C)(CC/C=C(\C)CC/C=C(\C)CCCOC1CCCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H50O3Si/c1-10-28(7,31-32(8,9)27(4,5)6)21-14-18-24(2)16-13-17-25(3)19-15-23-30-26-20-11-12-22-29-26/h1,17-18,26H,11-16,19-23H2,2-9H3/b24-18+,25-17+
InChIKeyZASZEORLNJAVGP-NSTZATIKSA-N
MW462.79 g/mol
LogP8.18
Rot. Bonds13

About tert-butyl-dimethyl-[(6E,10E)-3,7,11-trimethyl-14-(oxan-2-yloxy)tetradeca-6,10-dien-1-yn-3-yl]oxysilane

tert-butyl-dimethyl-[(6E,10E)-3,7,11-trimethyl-14-(oxan-2-yloxy)tetradeca-6,10-dien-1-yn-3-yl]oxysilane (PubChem CID 12000505) has the molecular formula C28H50O3Si and a molecular weight of 462.79 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(6E,10E)-3,7,11-trimethyl-14-(oxan-2-yloxy)tetradeca-6,10-dien-1-yn-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(6E,10E)-3,7,11-trimethyl-14-(oxan-2-yloxy)tetradeca-6,10-dien-1-yn-3-yl]oxysilane
PubChem CID12000505
Molecular FormulaC28H50O3Si
Molecular Weight462.79 g/mol
Exact Mass462.35
IUPAC Nametert-butyl-dimethyl-[(6E,10E)-3,7,11-trimethyl-14-(oxan-2-yloxy)tetradeca-6,10-dien-1-yn-3-yl]oxysilane
SMILESC#CC(C)(CC/C=C(\C)CC/C=C(\C)CCCOC1CCCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H50O3Si/c1-10-28(7,31-32(8,9)27(4,5)6)21-14-18-24(2)16-13-17-25(3)19-15-23-30-26-20-11-12-22-29-26/h1,17-18,26H,11-16,19-23H2,2-9H3/b24-18+,25-17+
InChIKeyZASZEORLNJAVGP-NSTZATIKSA-N
XLogP8.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.79
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-dimethyl-[4-methyl-11-(oxan-2-yloxy)undec-1-en-7-yn-4-yl]oxysilane
CID 11326882
tert-butyl-[(1E,6E,10E)-1-iodo-3,7,11-trimethyl-14-(oxan-2-yloxy)tetradeca-1,6,10-trien-3-yl]oxy-dimethylsilane
CID 12000506
tert-butyl-[(6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-yl]oxy-dimethylsilane
CID 15726381
tert-butyl-[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-yn-4-yl]oxy-dimethylsilane
CID 15726383
[(7E,11E)-4-(methoxymethoxy)-4,8,12-trimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-ynoxy]-tri(propan-2-yl)silane
CID 10415169
(7E,11E)-4,8,12-trimethyl-13-(oxan-2-yloxy)-1-tri(propan-2-yl)silyloxytrideca-7,11-dien-2-yn-4-ol
CID 10458879

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(6E,10E)-3,7,11-trimethyl-14-(oxan-2-yloxy)tetradeca-6,10-dien-1-yn-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(6E,10E)-3,7,11-trimethyl-14-(oxan-2-yloxy)tetradeca-6,10-dien-1-yn-3-yl]oxysilane (CID 12000505) is tert-butyl-dimethyl-[(6E,10E)-3,7,11-trimethyl-14-(oxan-2-yloxy)tetradeca-6,10-dien-1-yn-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(6E,10E)-3,7,11-trimethyl-14-(oxan-2-yloxy)tetradeca-6,10-dien-1-yn-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(6E,10E)-3,7,11-trimethyl-14-(oxan-2-yloxy)tetradeca-6,10-dien-1-yn-3-yl]oxysilane is C#CC(C)(CC/C=C(\C)CC/C=C(\C)CCCOC1CCCCO1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(6E,10E)-3,7,11-trimethyl-14-(oxan-2-yloxy)tetradeca-6,10-dien-1-yn-3-yl]oxysilane?
The InChIKey is ZASZEORLNJAVGP-NSTZATIKSA-N. The full InChI is InChI=1S/C28H50O3Si/c1-10-28(7,31-32(8,9)27(4,5)6)21-14-18-24(2)16-13-17-25(3)19-15-23-30-26-20-11-12-22-29-26/h1,17-18,26H,11-16,19-23H2,2-9H3/b24-18+,25-17+.
What are the key properties of tert-butyl-dimethyl-[(6E,10E)-3,7,11-trimethyl-14-(oxan-2-yloxy)tetradeca-6,10-dien-1-yn-3-yl]oxysilane?
tert-butyl-dimethyl-[(6E,10E)-3,7,11-trimethyl-14-(oxan-2-yloxy)tetradeca-6,10-dien-1-yn-3-yl]oxysilane has a molecular weight of 462.79 g/mol, XLogP of 8.18, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(6E,10E)-3,7,11-trimethyl-14-(oxan-2-yloxy)tetradeca-6,10-dien-1-yn-3-yl]oxysilane is sourced from PubChem (CID 12000505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).