2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-2,2-dimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]ethanone

C17H32O4Si — CID 10087929

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-2,2-dimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]ethanone
SMILESCC(C)=C[C@@H]1OC(C)(C)O[C@@H]1C(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O4Si/c1-12(2)10-14-15(21-17(6,7)20-14)13(18)11-19-22(8,9)16(3,4)5/h10,14-15H,11H2,1-9H3/t14-,15+/m0/s1
InChIKeyFLVLTKINLRJOGW-LSDHHAIUSA-N
MW328.53 g/mol
LogP4.06
Rot. Bonds5

About 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-2,2-dimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]ethanone

2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-2,2-dimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]ethanone (PubChem CID 10087929) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-2,2-dimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]ethanone.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-2,2-dimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]ethanone
PubChem CID10087929
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-2,2-dimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]ethanone
SMILESCC(C)=C[C@@H]1OC(C)(C)O[C@@H]1C(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O4Si/c1-12(2)10-14-15(21-17(6,7)20-14)13(18)11-19-22(8,9)16(3,4)5/h10,14-15H,11H2,1-9H3/t14-,15+/m0/s1
InChIKeyFLVLTKINLRJOGW-LSDHHAIUSA-N
XLogP4.06
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-2,2-dimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]ethanone?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-2,2-dimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]ethanone (CID 10087929) is 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-2,2-dimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]ethanone.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-2,2-dimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]ethanone?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-2,2-dimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]ethanone is CC(C)=C[C@@H]1OC(C)(C)O[C@@H]1C(=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-2,2-dimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]ethanone?
The InChIKey is FLVLTKINLRJOGW-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-12(2)10-14-15(21-17(6,7)20-14)13(18)11-19-22(8,9)16(3,4)5/h10,14-15H,11H2,1-9H3/t14-,15+/m0/s1.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-2,2-dimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]ethanone?
2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-2,2-dimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]ethanone has a molecular weight of 328.53 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-2,2-dimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]ethanone is sourced from PubChem (CID 10087929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).