tert-butyl-dimethyl-[10-(5-oxabicyclo[2.1.1]hexan-6-yloxy)decan-4-yloxy]silane

C21H42O3Si — CID 57132443

IUPACtert-butyl-dimethyl-[10-(5-oxabicyclo[2.1.1]hexan-6-yloxy)decan-4-yloxy]silane
SMILESCCCC(CCCCCCOC1C2CCC1O2)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O3Si/c1-7-12-17(24-25(5,6)21(2,3)4)13-10-8-9-11-16-22-20-18-14-15-19(20)23-18/h17-20H,7-16H2,1-6H3
InChIKeyXDOGZUFUSONQMA-UHFFFAOYSA-N
MW370.65 g/mol
LogP6.07
Rot. Bonds12

About tert-butyl-dimethyl-[10-(5-oxabicyclo[2.1.1]hexan-6-yloxy)decan-4-yloxy]silane

tert-butyl-dimethyl-[10-(5-oxabicyclo[2.1.1]hexan-6-yloxy)decan-4-yloxy]silane (PubChem CID 57132443) has the molecular formula C21H42O3Si and a molecular weight of 370.65 g/mol. Its IUPAC name is tert-butyl-dimethyl-[10-(5-oxabicyclo[2.1.1]hexan-6-yloxy)decan-4-yloxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[10-(5-oxabicyclo[2.1.1]hexan-6-yloxy)decan-4-yloxy]silane
PubChem CID57132443
Molecular FormulaC21H42O3Si
Molecular Weight370.65 g/mol
Exact Mass370.29
IUPAC Nametert-butyl-dimethyl-[10-(5-oxabicyclo[2.1.1]hexan-6-yloxy)decan-4-yloxy]silane
SMILESCCCC(CCCCCCOC1C2CCC1O2)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O3Si/c1-7-12-17(24-25(5,6)21(2,3)4)13-10-8-9-11-16-22-20-18-14-15-19(20)23-18/h17-20H,7-16H2,1-6H3
InChIKeyXDOGZUFUSONQMA-UHFFFAOYSA-N
XLogP6.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.65
LogP ≤ 56.07
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-[1-(5-oxabicyclo[2.1.1]hexan-6-yloxy)hexadecan-7-yloxy]silane
CID 57257200
tert-butyl-[(3R)-1-iododecan-3-yl]oxy-dimethylsilane
CID 140734279
methyl 16-[tert-butyl(dimethyl)silyl]oxynonadecanoate
CID 526817
1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane
CID 66710987
(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
cyclohexyl-dimethyl-tetradecan-4-yloxysilane
CID 554902
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxytetradecanoate
CID 58160475
tert-butyl-[(5S,8E,10E,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadeca-8,10-dien-5-yl]oxy-dimethylsilane
CID 141158621
methyl 12-[tert-butyl(dimethyl)silyl]oxynonadecanoate
CID 526837
methyl 10-[tert-butyl(dimethyl)silyl]oxyheptadecanoate
CID 526836
tert-butyl-dimethyl-[(5S)-1-trimethylsilyldec-1-yn-5-yl]oxysilane
CID 72549741

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[10-(5-oxabicyclo[2.1.1]hexan-6-yloxy)decan-4-yloxy]silane?
The IUPAC name of tert-butyl-dimethyl-[10-(5-oxabicyclo[2.1.1]hexan-6-yloxy)decan-4-yloxy]silane (CID 57132443) is tert-butyl-dimethyl-[10-(5-oxabicyclo[2.1.1]hexan-6-yloxy)decan-4-yloxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[10-(5-oxabicyclo[2.1.1]hexan-6-yloxy)decan-4-yloxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[10-(5-oxabicyclo[2.1.1]hexan-6-yloxy)decan-4-yloxy]silane is CCCC(CCCCCCOC1C2CCC1O2)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[10-(5-oxabicyclo[2.1.1]hexan-6-yloxy)decan-4-yloxy]silane?
The InChIKey is XDOGZUFUSONQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O3Si/c1-7-12-17(24-25(5,6)21(2,3)4)13-10-8-9-11-16-22-20-18-14-15-19(20)23-18/h17-20H,7-16H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[10-(5-oxabicyclo[2.1.1]hexan-6-yloxy)decan-4-yloxy]silane?
tert-butyl-dimethyl-[10-(5-oxabicyclo[2.1.1]hexan-6-yloxy)decan-4-yloxy]silane has a molecular weight of 370.65 g/mol, XLogP of 6.07, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[10-(5-oxabicyclo[2.1.1]hexan-6-yloxy)decan-4-yloxy]silane is sourced from PubChem (CID 57132443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).