(2S,6S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-prop-2-enyloxan-4-one

C26H34O3Si — CID 11166126

IUPAC(2S,6S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-prop-2-enyloxan-4-one
SMILESC=CC[C@H]1CC(=O)C[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C26H34O3Si/c1-5-12-22-19-21(27)20-23(29-22)17-18-28-30(26(2,3)4,24-13-8-6-9-14-24)25-15-10-7-11-16-25/h5-11,13-16,22-23H,1,12,17-20H2,2-4H3/t22-,23-/m0/s1
InChIKeySKNUQLSMJGCSFS-GOTSBHOMSA-N
MW422.64 g/mol
LogP4.65
Rot. Bonds8

About (2S,6S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-prop-2-enyloxan-4-one

(2S,6S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-prop-2-enyloxan-4-one (PubChem CID 11166126) has the molecular formula C26H34O3Si and a molecular weight of 422.64 g/mol. Its IUPAC name is (2S,6S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-prop-2-enyloxan-4-one.

Molecular Properties

Compound Name(2S,6S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-prop-2-enyloxan-4-one
PubChem CID11166126
Molecular FormulaC26H34O3Si
Molecular Weight422.64 g/mol
Exact Mass422.23
IUPAC Name(2S,6S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-prop-2-enyloxan-4-one
SMILESC=CC[C@H]1CC(=O)C[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C26H34O3Si/c1-5-12-22-19-21(27)20-23(29-22)17-18-28-30(26(2,3)4,24-13-8-6-9-14-24)25-15-10-7-11-16-25/h5-11,13-16,22-23H,1,12,17-20H2,2-4H3/t22-,23-/m0/s1
InChIKeySKNUQLSMJGCSFS-GOTSBHOMSA-N
XLogP4.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.64
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-prop-2-enyloxan-4-one?
The IUPAC name of (2S,6S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-prop-2-enyloxan-4-one (CID 11166126) is (2S,6S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-prop-2-enyloxan-4-one.
What is the SMILES notation for (2S,6S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-prop-2-enyloxan-4-one?
The canonical SMILES for (2S,6S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-prop-2-enyloxan-4-one is C=CC[C@H]1CC(=O)C[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of (2S,6S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-prop-2-enyloxan-4-one?
The InChIKey is SKNUQLSMJGCSFS-GOTSBHOMSA-N. The full InChI is InChI=1S/C26H34O3Si/c1-5-12-22-19-21(27)20-23(29-22)17-18-28-30(26(2,3)4,24-13-8-6-9-14-24)25-15-10-7-11-16-25/h5-11,13-16,22-23H,1,12,17-20H2,2-4H3/t22-,23-/m0/s1.
What are the key properties of (2S,6S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-prop-2-enyloxan-4-one?
(2S,6S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-prop-2-enyloxan-4-one has a molecular weight of 422.64 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-prop-2-enyloxan-4-one is sourced from PubChem (CID 11166126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).