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

C15H30O4Si — CID 123267933

IUPAC2-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-4-one
SMILESCC(C)(C)C1OC(=O)C(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
InChIKeyLOGMZQUTCQXWJV-UHFFFAOYSA-N
MW302.49 g/mol
LogP3.71
Rot. Bonds4

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

2-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-4-one (PubChem CID 123267933) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is 2-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-4-one.

Molecular Properties

Compound Name2-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-4-one
PubChem CID123267933
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name2-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-4-one
SMILESCC(C)(C)C1OC(=O)C(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
InChIKeyLOGMZQUTCQXWJV-UHFFFAOYSA-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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Related Compounds

methyl (4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 14414632
Methyl 3,4-O-isopropylidene-L-threonate, TMS derivative
CID 91701873
[(4S)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl] acetate
CID 101748375
methyl (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 10335211
(2S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethyl-1,3-dioxolan-4-one
CID 11277351
Methyl 3,4-O-isopropylidene-L-threonate, TBDMS derivative
CID 91701870
5-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-one
CID 23241041
(+)-2,2-Dimethyl-5-oxo-1,3-dioxolane-4-acetic Acid, Tert-butyldimethylsilyl Ester
CID 23519143
(S)-5-[2-(tert-butyl-dimethyl-silanyloxy)-ethyl]-2,2-dimethyl-[1,3]dioxolan-4-one
CID 67299740
(S)-(+)-2,2-dimethyl-5-oxo-1,3-dioxolane-4-acetic acid, t-butyldimethylsilyl ester
CID 86587277
(2S,5S)-2-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-4-one
CID 123213650
[(3R)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl] acetate
CID 169004458

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-4-one?
The IUPAC name of 2-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-4-one (CID 123267933) is 2-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-4-one.
What is the SMILES notation for 2-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-4-one?
The canonical SMILES for 2-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-4-one is CC(C)(C)C1OC(=O)C(CCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of 2-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-4-one?
The InChIKey is LOGMZQUTCQXWJV-UHFFFAOYSA-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.
What are the key properties of 2-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-4-one?
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 2-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-4-one is sourced from PubChem (CID 123267933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).