(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenyloxan-2-one

C13H24O3Si — CID 102006626

IUPAC(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenyloxan-2-one
SMILESC=C[C@@H]1C(=O)OCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O3Si/c1-7-10-11(8-9-15-12(10)14)16-17(5,6)13(2,3)4/h7,10-11H,1,8-9H2,2-6H3/t10-,11-/m0/s1
InChIKeyKFGWCWZFSLYUTR-QWRGUYRKSA-N
MW256.42 g/mol
LogP3.13
Rot. Bonds3

About (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenyloxan-2-one

(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenyloxan-2-one (PubChem CID 102006626) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenyloxan-2-one.

Molecular Properties

Compound Name(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenyloxan-2-one
PubChem CID102006626
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenyloxan-2-one
SMILESC=C[C@@H]1C(=O)OCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O3Si/c1-7-10-11(8-9-15-12(10)14)16-17(5,6)13(2,3)4/h7,10-11H,1,8-9H2,2-6H3/t10-,11-/m0/s1
InChIKeyKFGWCWZFSLYUTR-QWRGUYRKSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.13
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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Related Compounds

Ethyl 3(R)-(tert-butyldimethylsilyloxy)-5-hexenoate
CID 11065603
(3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-prop-2-enyloxan-2-one
CID 11150688
(R)-Methyl 3-((tert-butyldimethylsilyl)oxy)hex-5-enoate
CID 14926558
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 10901749
Methyl 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 72741311
Ethyl 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 85308645
Ethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-ethenylpentanoate
CID 87645916
3-[Tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)hex-5-enal
CID 123140876
ethyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxyhept-5-enoate
CID 173554108
(3S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-prop-2-enyloxan-2-one
CID 11185625
(3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-3,5-dimethyloxan-2-one
CID 11701932
methyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-enoate
CID 11774031

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenyloxan-2-one?
The IUPAC name of (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenyloxan-2-one (CID 102006626) is (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenyloxan-2-one.
What is the SMILES notation for (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenyloxan-2-one?
The canonical SMILES for (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenyloxan-2-one is C=C[C@@H]1C(=O)OCC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenyloxan-2-one?
The InChIKey is KFGWCWZFSLYUTR-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-7-10-11(8-9-15-12(10)14)16-17(5,6)13(2,3)4/h7,10-11H,1,8-9H2,2-6H3/t10-,11-/m0/s1.
What are the key properties of (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenyloxan-2-one?
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenyloxan-2-one has a molecular weight of 256.42 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenyloxan-2-one is sourced from PubChem (CID 102006626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).