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

C13H24O3Si — CID 10015296

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-one
SMILESC=CC1CC(O[Si](C)(C)C(C)(C)C)CC(=O)O1
InChIInChI=1S/C13H24O3Si/c1-7-10-8-11(9-12(14)15-10)16-17(5,6)13(2,3)4/h7,10-11H,1,8-9H2,2-6H3
InChIKeyUORBYHJTFILIQY-UHFFFAOYSA-N
MW256.42 g/mol
LogP3.27
Rot. Bonds3

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

4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-one (PubChem CID 10015296) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-one
PubChem CID10015296
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-one
SMILESC=CC1CC(O[Si](C)(C)C(C)(C)C)CC(=O)O1
InChIInChI=1S/C13H24O3Si/c1-7-10-8-11(9-12(14)15-10)16-17(5,6)13(2,3)4/h7,10-11H,1,8-9H2,2-6H3
InChIKeyUORBYHJTFILIQY-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
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

methyl (E,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-7-iodo-5-methoxyhept-6-enoate
CID 53235811
Methyl 3-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate
CID 15599666
ethyl 2-[(4S,6R)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]acetate
CID 58782240
(3R,4S,5S,6S)-6-[(Z)-but-1-enyl]-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxan-2-one
CID 59891837
(3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(Z)-prop-1-enyl]oxan-2-one
CID 59891839
(3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-prop-1-enyl]oxan-2-one
CID 59891943
ethyl 2-[(4R,6S)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]acetate
CID 91024847
(3R,4S,5S,6S)-6-but-1-enyl-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxan-2-one
CID 91504344
(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2,2-dihydroxyethenyl)oxan-2-one
CID 163922960
Methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehept-6-enoate
CID 11437594
(3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-3,5-dimethyloxan-2-one
CID 11701932
methyl (E,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-tributylstannylhept-6-enoate
CID 50901589

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-one (CID 10015296) is 4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-one is C=CC1CC(O[Si](C)(C)C(C)(C)C)CC(=O)O1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-one?
The InChIKey is UORBYHJTFILIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-7-10-8-11(9-12(14)15-10)16-17(5,6)13(2,3)4/h7,10-11H,1,8-9H2,2-6H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-one?
4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-one has a molecular weight of 256.42 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-one is sourced from PubChem (CID 10015296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).