(4S)-5-[(2R,3S)-3-ethenyl-5-oxooxolan-2-yl]-4-methyl-4-trimethylsilyloxypentanal

C15H26O4Si — CID 46201118

IUPAC(4S)-5-[(2R,3S)-3-ethenyl-5-oxooxolan-2-yl]-4-methyl-4-trimethylsilyloxypentanal
SMILESC=C[C@@H]1CC(=O)O[C@@H]1C[C@](C)(CCC=O)O[Si](C)(C)C
InChIInChI=1S/C15H26O4Si/c1-6-12-10-14(17)18-13(12)11-15(2,8-7-9-16)19-20(3,4)5/h6,9,12-13H,1,7-8,10-11H2,2-5H3/t12-,13-,15+/m1/s1
InChIKeyPRRCUCCOHOQAID-NFAWXSAZSA-N
MW298.46 g/mol
LogP3.08
Rot. Bonds8

About (4S)-5-[(2R,3S)-3-ethenyl-5-oxooxolan-2-yl]-4-methyl-4-trimethylsilyloxypentanal

(4S)-5-[(2R,3S)-3-ethenyl-5-oxooxolan-2-yl]-4-methyl-4-trimethylsilyloxypentanal (PubChem CID 46201118) has the molecular formula C15H26O4Si and a molecular weight of 298.46 g/mol. Its IUPAC name is (4S)-5-[(2R,3S)-3-ethenyl-5-oxooxolan-2-yl]-4-methyl-4-trimethylsilyloxypentanal.

Molecular Properties

Compound Name(4S)-5-[(2R,3S)-3-ethenyl-5-oxooxolan-2-yl]-4-methyl-4-trimethylsilyloxypentanal
PubChem CID46201118
Molecular FormulaC15H26O4Si
Molecular Weight298.46 g/mol
Exact Mass298.16
IUPAC Name(4S)-5-[(2R,3S)-3-ethenyl-5-oxooxolan-2-yl]-4-methyl-4-trimethylsilyloxypentanal
SMILESC=C[C@@H]1CC(=O)O[C@@H]1C[C@](C)(CCC=O)O[Si](C)(C)C
InChIInChI=1S/C15H26O4Si/c1-6-12-10-14(17)18-13(12)11-15(2,8-7-9-16)19-20(3,4)5/h6,9,12-13H,1,7-8,10-11H2,2-5H3/t12-,13-,15+/m1/s1
InChIKeyPRRCUCCOHOQAID-NFAWXSAZSA-N
XLogP3.08
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R,5R)-4-ethenyl-5-nonyloxolan-2-one
CID 102462794
(4S,5R)-4-pentyl-5-prop-2-enyloxolan-2-one
CID 11019794
3-Pentyl-5-prop-2-enyloxolan-2-one
CID 69612838
5-(2-Methylidenecyclopentyl)-4-(1-trimethylsilyloxybut-3-enyl)oxolan-2-one
CID 142668020
4-(4-Methyl-5-oxo-2-prop-2-enyloxolan-3-yl)butanal
CID 174323640
(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyloxolan-2-one
CID 10423285
tert-butyl (6R,9S)-9-[diethyl(propan-2-yl)silyl]oxy-6-methyldodec-11-enoate
CID 10764187
[(3S,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-formylnon-1-en-4-yl] acetate
CID 11175729
(4R,5S)-4-ethenyl-5-pentyloxolan-2-one
CID 11344384
(4S,5S)-4-ethenyl-5-octyloxolan-2-one
CID 11470142
[(3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-formylpentadec-1-en-4-yl] acetate
CID 17747697
(4S,5R)-5-[(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methyloct-7-enyl]-4-ethenyloxolan-2-one
CID 24754868

Frequently Asked Questions

What is the IUPAC name of (4S)-5-[(2R,3S)-3-ethenyl-5-oxooxolan-2-yl]-4-methyl-4-trimethylsilyloxypentanal?
The IUPAC name of (4S)-5-[(2R,3S)-3-ethenyl-5-oxooxolan-2-yl]-4-methyl-4-trimethylsilyloxypentanal (CID 46201118) is (4S)-5-[(2R,3S)-3-ethenyl-5-oxooxolan-2-yl]-4-methyl-4-trimethylsilyloxypentanal.
What is the SMILES notation for (4S)-5-[(2R,3S)-3-ethenyl-5-oxooxolan-2-yl]-4-methyl-4-trimethylsilyloxypentanal?
The canonical SMILES for (4S)-5-[(2R,3S)-3-ethenyl-5-oxooxolan-2-yl]-4-methyl-4-trimethylsilyloxypentanal is C=C[C@@H]1CC(=O)O[C@@H]1C[C@](C)(CCC=O)O[Si](C)(C)C.
What is the InChIKey of (4S)-5-[(2R,3S)-3-ethenyl-5-oxooxolan-2-yl]-4-methyl-4-trimethylsilyloxypentanal?
The InChIKey is PRRCUCCOHOQAID-NFAWXSAZSA-N. The full InChI is InChI=1S/C15H26O4Si/c1-6-12-10-14(17)18-13(12)11-15(2,8-7-9-16)19-20(3,4)5/h6,9,12-13H,1,7-8,10-11H2,2-5H3/t12-,13-,15+/m1/s1.
What are the key properties of (4S)-5-[(2R,3S)-3-ethenyl-5-oxooxolan-2-yl]-4-methyl-4-trimethylsilyloxypentanal?
(4S)-5-[(2R,3S)-3-ethenyl-5-oxooxolan-2-yl]-4-methyl-4-trimethylsilyloxypentanal has a molecular weight of 298.46 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-[(2R,3S)-3-ethenyl-5-oxooxolan-2-yl]-4-methyl-4-trimethylsilyloxypentanal is sourced from PubChem (CID 46201118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).