(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one

C13H26O3Si — CID 58858618

IUPAC(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one
SMILESCCC1C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O1
InChIInChI=1S/C13H26O3Si/c1-7-10-8-11(9-12(14)15-10)16-17(5,6)13(2,3)4/h10-11H,7-9H2,1-6H3/t10?,11-/m1/s1
InChIKeyCSTDSVFBDHLGPA-RRKGBCIJSA-N
MW258.43 g/mol
LogP3.49
Rot. Bonds3

About (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one

(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one (PubChem CID 58858618) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one.

Molecular Properties

Compound Name(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one
PubChem CID58858618
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one
SMILESCCC1C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O1
InChIInChI=1S/C13H26O3Si/c1-7-10-8-11(9-12(14)15-10)16-17(5,6)13(2,3)4/h10-11H,7-9H2,1-6H3/t10?,11-/m1/s1
InChIKeyCSTDSVFBDHLGPA-RRKGBCIJSA-N
XLogP3.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one
CID 15189735
bis((4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one);(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde
CID 157431725
(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(trichloromethyl)oxan-2-one
CID 15341503
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde
CID 58858615
(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2,2-dihydroxyethenyl)oxan-2-one
CID 163922960
cis-(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexan-1-one
CID 11096852
4,8-diethyl-1,5-dioxocane-2,6-dione
CID 171057524
(4R,6R)-6-[2-[(1S,2S,6S,8S,8aS)-8-hydroxy-2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one
CID 13298852
(6R)-6-[2-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one
CID 45039440
(4R,6R)-6-[2-[(1S,2S,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one
CID 57015050
(4R,6R)-6-[2-[(1S,2S,6S,8R,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one
CID 67838141
4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one
CID 19385088

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one?
The IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one (CID 58858618) is (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one.
What is the SMILES notation for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one?
The canonical SMILES for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one is CCC1C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O1.
What is the InChIKey of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one?
The InChIKey is CSTDSVFBDHLGPA-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-7-10-8-11(9-12(14)15-10)16-17(5,6)13(2,3)4/h10-11H,7-9H2,1-6H3/t10?,11-/m1/s1.
What are the key properties of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one?
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one has a molecular weight of 258.43 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one is sourced from PubChem (CID 58858618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).