(4S,6S)-2,2,4-tritert-butyl-6-methyl-1,3,2-dioxasilinane

C16H34O2Si — CID 11140710

IUPAC(4S,6S)-2,2,4-tritert-butyl-6-methyl-1,3,2-dioxasilinane
SMILESC[C@H]1C[C@@H](C(C)(C)C)O[Si](C(C)(C)C)(C(C)(C)C)O1
InChIInChI=1S/C16H34O2Si/c1-12-11-13(14(2,3)4)18-19(17-12,15(5,6)7)16(8,9)10/h12-13H,11H2,1-10H3/t12-,13-/m0/s1
InChIKeyNVFDHWPHEPQHEO-STQMWFEESA-N
MW286.53 g/mol
LogP5.27
Rot. Bonds

About (4S,6S)-2,2,4-tritert-butyl-6-methyl-1,3,2-dioxasilinane

(4S,6S)-2,2,4-tritert-butyl-6-methyl-1,3,2-dioxasilinane (PubChem CID 11140710) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is (4S,6S)-2,2,4-tritert-butyl-6-methyl-1,3,2-dioxasilinane.

Molecular Properties

Compound Name(4S,6S)-2,2,4-tritert-butyl-6-methyl-1,3,2-dioxasilinane
PubChem CID11140710
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Name(4S,6S)-2,2,4-tritert-butyl-6-methyl-1,3,2-dioxasilinane
SMILESC[C@H]1C[C@@H](C(C)(C)C)O[Si](C(C)(C)C)(C(C)(C)C)O1
InChIInChI=1S/C16H34O2Si/c1-12-11-13(14(2,3)4)18-19(17-12,15(5,6)7)16(8,9)10/h12-13H,11H2,1-10H3/t12-,13-/m0/s1
InChIKeyNVFDHWPHEPQHEO-STQMWFEESA-N
XLogP5.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
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 (4S,6S)-2,2,4-tritert-butyl-6-methyl-1,3,2-dioxasilinane?
The IUPAC name of (4S,6S)-2,2,4-tritert-butyl-6-methyl-1,3,2-dioxasilinane (CID 11140710) is (4S,6S)-2,2,4-tritert-butyl-6-methyl-1,3,2-dioxasilinane.
What is the SMILES notation for (4S,6S)-2,2,4-tritert-butyl-6-methyl-1,3,2-dioxasilinane?
The canonical SMILES for (4S,6S)-2,2,4-tritert-butyl-6-methyl-1,3,2-dioxasilinane is C[C@H]1C[C@@H](C(C)(C)C)O[Si](C(C)(C)C)(C(C)(C)C)O1.
What is the InChIKey of (4S,6S)-2,2,4-tritert-butyl-6-methyl-1,3,2-dioxasilinane?
The InChIKey is NVFDHWPHEPQHEO-STQMWFEESA-N. The full InChI is InChI=1S/C16H34O2Si/c1-12-11-13(14(2,3)4)18-19(17-12,15(5,6)7)16(8,9)10/h12-13H,11H2,1-10H3/t12-,13-/m0/s1.
What are the key properties of (4S,6S)-2,2,4-tritert-butyl-6-methyl-1,3,2-dioxasilinane?
(4S,6S)-2,2,4-tritert-butyl-6-methyl-1,3,2-dioxasilinane has a molecular weight of 286.53 g/mol, XLogP of 5.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-2,2,4-tritert-butyl-6-methyl-1,3,2-dioxasilinane is sourced from PubChem (CID 11140710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).