(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyloxolan-2-one

C14H26O3Si — CID 10423285

IUPAC(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyloxolan-2-one
SMILESC=C[C@@H]1CC(=O)O[C@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O3Si/c1-7-11-10-13(15)17-12(11)8-9-16-18(5,6)14(2,3)4/h7,11-12H,1,8-10H2,2-6H3/t11-,12+/m1/s1
InChIKeyRZVHIPMJBYWLCW-NEPJUHHUSA-N
MW270.44 g/mol
LogP3.52
Rot. Bonds5

About (4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyloxolan-2-one

(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyloxolan-2-one (PubChem CID 10423285) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is (4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyloxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyloxolan-2-one
PubChem CID10423285
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyloxolan-2-one
SMILESC=C[C@@H]1CC(=O)O[C@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O3Si/c1-7-11-10-13(15)17-12(11)8-9-16-18(5,6)14(2,3)4/h7,11-12H,1,8-10H2,2-6H3/t11-,12+/m1/s1
InChIKeyRZVHIPMJBYWLCW-NEPJUHHUSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.52
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

3-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]-5-methylideneoxolan-2-one
CID 11065997
(3S)-3-[2-(trimethylsilylmethyl)prop-2-enyl]oxolan-2-one
CID 162404388
(4R,5R)-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one
CID 10592269
(3S,4R,5R)-3-methyl-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one
CID 10759622
(4R,5R)-4-ethenyl-5-(3-trimethylsilylprop-2-ynyl)oxolan-2-one
CID 13916977
(3aR,7aR)-3-trimethylsilyl-3a,4,7,7a-tetrahydro-3H-1-benzofuran-2-one
CID 21677060
5-Ethyl-3-(1-trimethylsilyloxyethenyl)oxolan-2-one
CID 121006359
3-Ethenyl-5-ethyloxolan-2-one
CID 12326739
4-Methyl-5-prop-2-enyloxolan-2-one
CID 13678506
methyl 2-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate
CID 58878678
Ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanoate
CID 152616792
5-Ethyloxolan-2-one;5-methylhept-1-ene
CID 156743819

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyloxolan-2-one?
The IUPAC name of (4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyloxolan-2-one (CID 10423285) is (4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyloxolan-2-one.
What is the SMILES notation for (4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyloxolan-2-one?
The canonical SMILES for (4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyloxolan-2-one is C=C[C@@H]1CC(=O)O[C@H]1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyloxolan-2-one?
The InChIKey is RZVHIPMJBYWLCW-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-7-11-10-13(15)17-12(11)8-9-16-18(5,6)14(2,3)4/h7,11-12H,1,8-10H2,2-6H3/t11-,12+/m1/s1.
What are the key properties of (4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyloxolan-2-one?
(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyloxolan-2-one has a molecular weight of 270.44 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyloxolan-2-one is sourced from PubChem (CID 10423285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).