tert-butyl-(9,12-dioxadispiro[4.2.48.25]tetradecan-4-yloxy)-dimethylsilane

C18H34O3Si — CID 131742686

IUPACtert-butyl-(9,12-dioxadispiro[4.2.48.25]tetradecan-4-yloxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCCC12CCC1(CC2)OCCO1
InChIInChI=1S/C18H34O3Si/c1-16(2,3)22(4,5)21-15-7-6-8-17(15)9-11-18(12-10-17)19-13-14-20-18/h15H,6-14H2,1-5H3
InChIKeyLOPBVCZQWRJZGE-UHFFFAOYSA-N
MW326.55 g/mol
LogP4.86
Rot. Bonds2

About tert-butyl-(9,12-dioxadispiro[4.2.48.25]tetradecan-4-yloxy)-dimethylsilane

tert-butyl-(9,12-dioxadispiro[4.2.48.25]tetradecan-4-yloxy)-dimethylsilane (PubChem CID 131742686) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is tert-butyl-(9,12-dioxadispiro[4.2.48.25]tetradecan-4-yloxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(9,12-dioxadispiro[4.2.48.25]tetradecan-4-yloxy)-dimethylsilane
PubChem CID131742686
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Nametert-butyl-(9,12-dioxadispiro[4.2.48.25]tetradecan-4-yloxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCCC12CCC1(CC2)OCCO1
InChIInChI=1S/C18H34O3Si/c1-16(2,3)22(4,5)21-15-7-6-8-17(15)9-11-18(12-10-17)19-13-14-20-18/h15H,6-14H2,1-5H3
InChIKeyLOPBVCZQWRJZGE-UHFFFAOYSA-N
XLogP4.86
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(9,12-dioxadispiro[4.2.48.25]tetradecan-4-yloxy)-dimethylsilane?
The IUPAC name of tert-butyl-(9,12-dioxadispiro[4.2.48.25]tetradecan-4-yloxy)-dimethylsilane (CID 131742686) is tert-butyl-(9,12-dioxadispiro[4.2.48.25]tetradecan-4-yloxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(9,12-dioxadispiro[4.2.48.25]tetradecan-4-yloxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(9,12-dioxadispiro[4.2.48.25]tetradecan-4-yloxy)-dimethylsilane is CC(C)(C)[Si](C)(C)OC1CCCC12CCC1(CC2)OCCO1.
What is the InChIKey of tert-butyl-(9,12-dioxadispiro[4.2.48.25]tetradecan-4-yloxy)-dimethylsilane?
The InChIKey is LOPBVCZQWRJZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-16(2,3)22(4,5)21-15-7-6-8-17(15)9-11-18(12-10-17)19-13-14-20-18/h15H,6-14H2,1-5H3.
What are the key properties of tert-butyl-(9,12-dioxadispiro[4.2.48.25]tetradecan-4-yloxy)-dimethylsilane?
tert-butyl-(9,12-dioxadispiro[4.2.48.25]tetradecan-4-yloxy)-dimethylsilane has a molecular weight of 326.55 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(9,12-dioxadispiro[4.2.48.25]tetradecan-4-yloxy)-dimethylsilane is sourced from PubChem (CID 131742686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).