tert-butyl-dimethyl-[1-(5-oxabicyclo[2.1.1]hexan-6-yloxy)hexadecan-7-yloxy]silane

C27H54O3Si — CID 57257200

IUPACtert-butyl-dimethyl-[1-(5-oxabicyclo[2.1.1]hexan-6-yloxy)hexadecan-7-yloxy]silane
SMILESCCCCCCCCCC(CCCCCCOC1C2CCC1O2)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H54O3Si/c1-7-8-9-10-11-12-15-18-23(30-31(5,6)27(2,3)4)19-16-13-14-17-22-28-26-24-20-21-25(26)29-24/h23-26H,7-22H2,1-6H3
InChIKeyWSIRPOYQGMPYMT-UHFFFAOYSA-N
MW454.81 g/mol
LogP8.41
Rot. Bonds18

About tert-butyl-dimethyl-[1-(5-oxabicyclo[2.1.1]hexan-6-yloxy)hexadecan-7-yloxy]silane

tert-butyl-dimethyl-[1-(5-oxabicyclo[2.1.1]hexan-6-yloxy)hexadecan-7-yloxy]silane (PubChem CID 57257200) has the molecular formula C27H54O3Si and a molecular weight of 454.81 g/mol. Its IUPAC name is tert-butyl-dimethyl-[1-(5-oxabicyclo[2.1.1]hexan-6-yloxy)hexadecan-7-yloxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[1-(5-oxabicyclo[2.1.1]hexan-6-yloxy)hexadecan-7-yloxy]silane
PubChem CID57257200
Molecular FormulaC27H54O3Si
Molecular Weight454.81 g/mol
Exact Mass454.38
IUPAC Nametert-butyl-dimethyl-[1-(5-oxabicyclo[2.1.1]hexan-6-yloxy)hexadecan-7-yloxy]silane
SMILESCCCCCCCCCC(CCCCCCOC1C2CCC1O2)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H54O3Si/c1-7-8-9-10-11-12-15-18-23(30-31(5,6)27(2,3)4)19-16-13-14-17-22-28-26-24-20-21-25(26)29-24/h23-26H,7-22H2,1-6H3
InChIKeyWSIRPOYQGMPYMT-UHFFFAOYSA-N
XLogP8.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.81
LogP ≤ 58.41
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'}

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Related Compounds

tert-butyl-dimethyl-[10-(5-oxabicyclo[2.1.1]hexan-6-yloxy)decan-4-yloxy]silane
CID 57132443
tert-butyl-[(3R)-1-iododecan-3-yl]oxy-dimethylsilane
CID 140734279
(15R)-15-[(2R,5R)-5-[(2R,5R)-5-[(1R,5S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]undecyl]oxolan-2-yl]oxolan-2-yl]-15-[tert-butyl(dimethyl)silyl]oxypentadecanoic acid
CID 10985839
tert-butyl-[(4S,7R)-4-[tert-butyl(dimethyl)silyl]oxyhenicos-1-en-7-yl]oxy-dimethylsilane
CID 11215040
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxytetradecanoate
CID 58160475
tert-butyl-dimethyl-[(5S)-1-trimethylsilyldec-1-yn-5-yl]oxysilane
CID 72549741
methyl 10-[tert-butyl(dimethyl)silyl]oxyheptadecanoate
CID 526836
methyl 12-[tert-butyl(dimethyl)silyl]oxynonadecanoate
CID 526837
tert-butyl-dimethyl-tridecan-2-yloxysilane
CID 102272520
tert-butyl-dimethyl-pentadecan-2-yloxysilane
CID 6430239
tert-butyl-[(10S)-henicos-7-yn-10-yl]oxy-dimethylsilane
CID 156597203
1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane
CID 66710987

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[1-(5-oxabicyclo[2.1.1]hexan-6-yloxy)hexadecan-7-yloxy]silane?
The IUPAC name of tert-butyl-dimethyl-[1-(5-oxabicyclo[2.1.1]hexan-6-yloxy)hexadecan-7-yloxy]silane (CID 57257200) is tert-butyl-dimethyl-[1-(5-oxabicyclo[2.1.1]hexan-6-yloxy)hexadecan-7-yloxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[1-(5-oxabicyclo[2.1.1]hexan-6-yloxy)hexadecan-7-yloxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[1-(5-oxabicyclo[2.1.1]hexan-6-yloxy)hexadecan-7-yloxy]silane is CCCCCCCCCC(CCCCCCOC1C2CCC1O2)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[1-(5-oxabicyclo[2.1.1]hexan-6-yloxy)hexadecan-7-yloxy]silane?
The InChIKey is WSIRPOYQGMPYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54O3Si/c1-7-8-9-10-11-12-15-18-23(30-31(5,6)27(2,3)4)19-16-13-14-17-22-28-26-24-20-21-25(26)29-24/h23-26H,7-22H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[1-(5-oxabicyclo[2.1.1]hexan-6-yloxy)hexadecan-7-yloxy]silane?
tert-butyl-dimethyl-[1-(5-oxabicyclo[2.1.1]hexan-6-yloxy)hexadecan-7-yloxy]silane has a molecular weight of 454.81 g/mol, XLogP of 8.41, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[1-(5-oxabicyclo[2.1.1]hexan-6-yloxy)hexadecan-7-yloxy]silane is sourced from PubChem (CID 57257200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).