tert-butyl-dimethyl-[(E,13S)-13-methylheptadec-10-enoxy]silane

C24H50OSi — CID 146679946

IUPACtert-butyl-dimethyl-[(E,13S)-13-methylheptadec-10-enoxy]silane
SMILESCCCC[C@H](C)C/C=C/CCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H50OSi/c1-8-9-20-23(2)21-18-16-14-12-10-11-13-15-17-19-22-25-26(6,7)24(3,4)5/h16,18,23H,8-15,17,19-22H2,1-7H3/b18-16+/t23-/m0/s1
InChIKeyKFGZNDYFXIHIMF-NGIFANIDSA-N
MW382.75 g/mol
LogP8.90
Rot. Bonds16

About tert-butyl-dimethyl-[(E,13S)-13-methylheptadec-10-enoxy]silane

tert-butyl-dimethyl-[(E,13S)-13-methylheptadec-10-enoxy]silane (PubChem CID 146679946) has the molecular formula C24H50OSi and a molecular weight of 382.75 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E,13S)-13-methylheptadec-10-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E,13S)-13-methylheptadec-10-enoxy]silane
PubChem CID146679946
Molecular FormulaC24H50OSi
Molecular Weight382.75 g/mol
Exact Mass382.36
IUPAC Nametert-butyl-dimethyl-[(E,13S)-13-methylheptadec-10-enoxy]silane
SMILESCCCC[C@H](C)C/C=C/CCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H50OSi/c1-8-9-20-23(2)21-18-16-14-12-10-11-13-15-17-19-22-25-26(6,7)24(3,4)5/h16,18,23H,8-15,17,19-22H2,1-7H3/b18-16+/t23-/m0/s1
InChIKeyKFGZNDYFXIHIMF-NGIFANIDSA-N
XLogP8.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.75
LogP ≤ 58.90
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl(dec-9-enyloxy)dimethylsilane
CID 10869380
Octadec-9Z-enol trimethylsilyl ether
CID 5366884
Trimethyl(9-octadecenyloxy)-silane
CID 554435
Silane, (1,1-dimethylethyl)dimethyl(10-undecenyloxy)-
CID 10265922
Linoleyl alcohol tms ether
CID 15635192
(S)-tert-butyl((3,7-dimethyloct-6-en-1-yl)oxy)dimethylsilane
CID 22882877
tert-butyl-[4-[(1R)-cyclohex-2-en-1-yl]-2-methylbutan-2-yl]oxy-dimethylsilane
CID 162400600
cis-9-octadecenol, tBDMS
CID 6430273
beta-Citronellol, TBDMS derivative
CID 11043851
Silane, dimethyl(dec-4-enyloxy)decyloxy-
CID 91694499
Silane, dimethyl(dec-4-enyloxy)octyloxy-
CID 91694589
Silane, dimethyl(dec-4-enyloxy)nonyloxy-
CID 91694590

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E,13S)-13-methylheptadec-10-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E,13S)-13-methylheptadec-10-enoxy]silane (CID 146679946) is tert-butyl-dimethyl-[(E,13S)-13-methylheptadec-10-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E,13S)-13-methylheptadec-10-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E,13S)-13-methylheptadec-10-enoxy]silane is CCCC[C@H](C)C/C=C/CCCCCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E,13S)-13-methylheptadec-10-enoxy]silane?
The InChIKey is KFGZNDYFXIHIMF-NGIFANIDSA-N. The full InChI is InChI=1S/C24H50OSi/c1-8-9-20-23(2)21-18-16-14-12-10-11-13-15-17-19-22-25-26(6,7)24(3,4)5/h16,18,23H,8-15,17,19-22H2,1-7H3/b18-16+/t23-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(E,13S)-13-methylheptadec-10-enoxy]silane?
tert-butyl-dimethyl-[(E,13S)-13-methylheptadec-10-enoxy]silane has a molecular weight of 382.75 g/mol, XLogP of 8.90, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E,13S)-13-methylheptadec-10-enoxy]silane is sourced from PubChem (CID 146679946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).