2,2-ditert-butyl-5-ethyl-4-propyl-1,3,2-dioxasilinane

C16H34O2Si — CID 134901492

IUPAC2,2-ditert-butyl-5-ethyl-4-propyl-1,3,2-dioxasilinane
SMILESCCCC1O[Si](C(C)(C)C)(C(C)(C)C)OCC1CC
InChIInChI=1S/C16H34O2Si/c1-9-11-14-13(10-2)12-17-19(18-14,15(3,4)5)16(6,7)8/h13-14H,9-12H2,1-8H3
InChIKeyVPMMCPLGYZUJHD-UHFFFAOYSA-N
MW286.53 g/mol
LogP5.27
Rot. Bonds3

About 2,2-ditert-butyl-5-ethyl-4-propyl-1,3,2-dioxasilinane

2,2-ditert-butyl-5-ethyl-4-propyl-1,3,2-dioxasilinane (PubChem CID 134901492) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is 2,2-ditert-butyl-5-ethyl-4-propyl-1,3,2-dioxasilinane.

Molecular Properties

Compound Name2,2-ditert-butyl-5-ethyl-4-propyl-1,3,2-dioxasilinane
PubChem CID134901492
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Name2,2-ditert-butyl-5-ethyl-4-propyl-1,3,2-dioxasilinane
SMILESCCCC1O[Si](C(C)(C)C)(C(C)(C)C)OCC1CC
InChIInChI=1S/C16H34O2Si/c1-9-11-14-13(10-2)12-17-19(18-14,15(3,4)5)16(6,7)8/h13-14H,9-12H2,1-8H3
InChIKeyVPMMCPLGYZUJHD-UHFFFAOYSA-N
XLogP5.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.53
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,2-ditert-butyl-5-ethyl-4-propyl-1,3,2-dioxasilinane?
The IUPAC name of 2,2-ditert-butyl-5-ethyl-4-propyl-1,3,2-dioxasilinane (CID 134901492) is 2,2-ditert-butyl-5-ethyl-4-propyl-1,3,2-dioxasilinane.
What is the SMILES notation for 2,2-ditert-butyl-5-ethyl-4-propyl-1,3,2-dioxasilinane?
The canonical SMILES for 2,2-ditert-butyl-5-ethyl-4-propyl-1,3,2-dioxasilinane is CCCC1O[Si](C(C)(C)C)(C(C)(C)C)OCC1CC.
What is the InChIKey of 2,2-ditert-butyl-5-ethyl-4-propyl-1,3,2-dioxasilinane?
The InChIKey is VPMMCPLGYZUJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-9-11-14-13(10-2)12-17-19(18-14,15(3,4)5)16(6,7)8/h13-14H,9-12H2,1-8H3.
What are the key properties of 2,2-ditert-butyl-5-ethyl-4-propyl-1,3,2-dioxasilinane?
2,2-ditert-butyl-5-ethyl-4-propyl-1,3,2-dioxasilinane has a molecular weight of 286.53 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-ditert-butyl-5-ethyl-4-propyl-1,3,2-dioxasilinane is sourced from PubChem (CID 134901492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).