tert-butyl-dimethyl-[8-(oxan-2-yloxy)octoxy]silane

C19H40O3Si — CID 11624356

IUPACtert-butyl-dimethyl-[8-(oxan-2-yloxy)octoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCCOC1CCCCO1
InChIInChI=1S/C19H40O3Si/c1-19(2,3)23(4,5)22-17-12-9-7-6-8-11-15-20-18-14-10-13-16-21-18/h18H,6-17H2,1-5H3
InChIKeyJKQJAXVONJPKFC-UHFFFAOYSA-N
MW344.61 g/mol
LogP5.89
Rot. Bonds11

About tert-butyl-dimethyl-[8-(oxan-2-yloxy)octoxy]silane

tert-butyl-dimethyl-[8-(oxan-2-yloxy)octoxy]silane (PubChem CID 11624356) has the molecular formula C19H40O3Si and a molecular weight of 344.61 g/mol. Its IUPAC name is tert-butyl-dimethyl-[8-(oxan-2-yloxy)octoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[8-(oxan-2-yloxy)octoxy]silane
PubChem CID11624356
Molecular FormulaC19H40O3Si
Molecular Weight344.61 g/mol
Exact Mass344.27
IUPAC Nametert-butyl-dimethyl-[8-(oxan-2-yloxy)octoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCCOC1CCCCO1
InChIInChI=1S/C19H40O3Si/c1-19(2,3)23(4,5)22-17-12-9-7-6-8-11-15-20-18-14-10-13-16-21-18/h18H,6-17H2,1-5H3
InChIKeyJKQJAXVONJPKFC-UHFFFAOYSA-N
XLogP5.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.61
LogP ≤ 55.89
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[8-(oxan-2-yloxy)octoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[8-(oxan-2-yloxy)octoxy]silane (CID 11624356) is tert-butyl-dimethyl-[8-(oxan-2-yloxy)octoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[8-(oxan-2-yloxy)octoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[8-(oxan-2-yloxy)octoxy]silane is CC(C)(C)[Si](C)(C)OCCCCCCCCOC1CCCCO1.
What is the InChIKey of tert-butyl-dimethyl-[8-(oxan-2-yloxy)octoxy]silane?
The InChIKey is JKQJAXVONJPKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O3Si/c1-19(2,3)23(4,5)22-17-12-9-7-6-8-11-15-20-18-14-10-13-16-21-18/h18H,6-17H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[8-(oxan-2-yloxy)octoxy]silane?
tert-butyl-dimethyl-[8-(oxan-2-yloxy)octoxy]silane has a molecular weight of 344.61 g/mol, XLogP of 5.89, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[8-(oxan-2-yloxy)octoxy]silane is sourced from PubChem (CID 11624356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).