tert-butyl-dimethyl-[(E)-11-methylheptadec-11-en-9-yn-8-yl]oxysilane

C24H46OSi — CID 10959822

IUPACtert-butyl-dimethyl-[(E)-11-methylheptadec-11-en-9-yn-8-yl]oxysilane
SMILESCCCCC/C=C(\C)C#CC(CCCCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H46OSi/c1-9-11-13-15-17-19-23(25-26(7,8)24(4,5)6)21-20-22(3)18-16-14-12-10-2/h18,23H,9-17,19H2,1-8H3/b22-18+
InChIKeyIFQZRBRWTVTUTM-RELWKKBWSA-N
MW378.72 g/mol
LogP8.27
Rot. Bonds12

About tert-butyl-dimethyl-[(E)-11-methylheptadec-11-en-9-yn-8-yl]oxysilane

tert-butyl-dimethyl-[(E)-11-methylheptadec-11-en-9-yn-8-yl]oxysilane (PubChem CID 10959822) has the molecular formula C24H46OSi and a molecular weight of 378.72 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-11-methylheptadec-11-en-9-yn-8-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-11-methylheptadec-11-en-9-yn-8-yl]oxysilane
PubChem CID10959822
Molecular FormulaC24H46OSi
Molecular Weight378.72 g/mol
Exact Mass378.33
IUPAC Nametert-butyl-dimethyl-[(E)-11-methylheptadec-11-en-9-yn-8-yl]oxysilane
SMILESCCCCC/C=C(\C)C#CC(CCCCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H46OSi/c1-9-11-13-15-17-19-23(25-26(7,8)24(4,5)6)21-20-22(3)18-16-14-12-10-2/h18,23H,9-17,19H2,1-8H3/b22-18+
InChIKeyIFQZRBRWTVTUTM-RELWKKBWSA-N
XLogP8.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.72
LogP ≤ 58.27
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

cis-9-octadecenol, tBDMS
CID 6430273
(Z,E)-Tetradeca-9,12-dienol, tert-Butyldimethylsilyl ether
CID 91697354
13c,16c-docosadienol, tBDMS
CID 6430207
7-Cyclohexa-1,4-dien-1-ylhept-1-en-4-yloxy-tri(propan-2-yl)silane
CID 11068043
(Z)-12-[tert-butyl(dimethyl)silyl]oxy-14-ethoxytetradec-4-en-13-yn-1-ol
CID 11111747
tert-butyl-[(E)-henicos-8-en-6-yn-11-yl]oxy-dimethylsilane
CID 11247187
tert-butyl-[(6Z,8E)-henicosa-6,8-dien-11-yl]oxy-dimethylsilane
CID 11327675
[(E)-hexadec-10-en-12-ynoxy]-trimethylsilane
CID 15933165
2-[(2S,5Z,8S)-8-hexyl-3,4,7,8-tetrahydro-2H-oxocin-2-yl]ethynyl-trimethylsilane
CID 49782438
tert-butyl-dimethyl-[(Z)-octadec-9-en-6-yl]oxysilane
CID 134866255
Tert-butyl-dimethyl-(2-methyltridec-2-en-4-yn-6-yloxy)silane
CID 134977729
tert-butyl-[(4E)-4-ethylidenedodecan-2-yl]oxy-dimethylsilane
CID 134979490

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E)-11-methylheptadec-11-en-9-yn-8-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(E)-11-methylheptadec-11-en-9-yn-8-yl]oxysilane (CID 10959822) is tert-butyl-dimethyl-[(E)-11-methylheptadec-11-en-9-yn-8-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-11-methylheptadec-11-en-9-yn-8-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-11-methylheptadec-11-en-9-yn-8-yl]oxysilane is CCCCC/C=C(\C)C#CC(CCCCCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E)-11-methylheptadec-11-en-9-yn-8-yl]oxysilane?
The InChIKey is IFQZRBRWTVTUTM-RELWKKBWSA-N. The full InChI is InChI=1S/C24H46OSi/c1-9-11-13-15-17-19-23(25-26(7,8)24(4,5)6)21-20-22(3)18-16-14-12-10-2/h18,23H,9-17,19H2,1-8H3/b22-18+.
What are the key properties of tert-butyl-dimethyl-[(E)-11-methylheptadec-11-en-9-yn-8-yl]oxysilane?
tert-butyl-dimethyl-[(E)-11-methylheptadec-11-en-9-yn-8-yl]oxysilane has a molecular weight of 378.72 g/mol, XLogP of 8.27, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-11-methylheptadec-11-en-9-yn-8-yl]oxysilane is sourced from PubChem (CID 10959822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).