(2S,5S)-2-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-4-one

C15H30O4Si — CID 123213650

IUPAC(2S,5S)-2-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-4-one
SMILESCC(C)(C)[C@@H]1OC(=O)[C@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H30O4Si/c1-14(2,3)13-18-11(12(16)19-13)9-10-17-20(7,8)15(4,5)6/h11,13H,9-10H2,1-8H3/t11-,13-/m0/s1
InChIKeyLOGMZQUTCQXWJV-AAEUAGOBSA-N
MW302.49 g/mol
LogP3.71
Rot. Bonds4

About (2S,5S)-2-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-4-one

(2S,5S)-2-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-4-one (PubChem CID 123213650) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is (2S,5S)-2-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-4-one.

Molecular Properties

Compound Name(2S,5S)-2-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-4-one
PubChem CID123213650
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name(2S,5S)-2-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-4-one
SMILESCC(C)(C)[C@@H]1OC(=O)[C@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H30O4Si/c1-14(2,3)13-18-11(12(16)19-13)9-10-17-20(7,8)15(4,5)6/h11,13H,9-10H2,1-8H3/t11-,13-/m0/s1
InChIKeyLOGMZQUTCQXWJV-AAEUAGOBSA-N
XLogP3.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (2S,5S)-2-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-4-one?
The IUPAC name of (2S,5S)-2-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-4-one (CID 123213650) is (2S,5S)-2-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-4-one.
What is the SMILES notation for (2S,5S)-2-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-4-one?
The canonical SMILES for (2S,5S)-2-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-4-one is CC(C)(C)[C@@H]1OC(=O)[C@H](CCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (2S,5S)-2-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-4-one?
The InChIKey is LOGMZQUTCQXWJV-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-14(2,3)13-18-11(12(16)19-13)9-10-17-20(7,8)15(4,5)6/h11,13H,9-10H2,1-8H3/t11-,13-/m0/s1.
What are the key properties of (2S,5S)-2-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-4-one?
(2S,5S)-2-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-4-one has a molecular weight of 302.49 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-4-one is sourced from PubChem (CID 123213650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).