(4E)-4-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxooxolan-3-ylidene]-2,2-dimethylbutanal

C16H28O4Si — CID 10979895

IUPAC(4E)-4-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxooxolan-3-ylidene]-2,2-dimethylbutanal
SMILESCC(C)(C=O)C/C=C1/C(=O)OC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O4Si/c1-15(2,3)21(6,7)20-13-10-19-14(18)12(13)8-9-16(4,5)11-17/h8,11,13H,9-10H2,1-7H3/b12-8+/t13-/m1/s1
InChIKeyVZAJTOWWPNMXQQ-YQCJOKCJSA-N
MW312.48 g/mol
LogP3.48
Rot. Bonds5

About (4E)-4-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxooxolan-3-ylidene]-2,2-dimethylbutanal

(4E)-4-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxooxolan-3-ylidene]-2,2-dimethylbutanal (PubChem CID 10979895) has the molecular formula C16H28O4Si and a molecular weight of 312.48 g/mol. Its IUPAC name is (4E)-4-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxooxolan-3-ylidene]-2,2-dimethylbutanal.

Molecular Properties

Compound Name(4E)-4-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxooxolan-3-ylidene]-2,2-dimethylbutanal
PubChem CID10979895
Molecular FormulaC16H28O4Si
Molecular Weight312.48 g/mol
Exact Mass312.18
IUPAC Name(4E)-4-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxooxolan-3-ylidene]-2,2-dimethylbutanal
SMILESCC(C)(C=O)C/C=C1/C(=O)OC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O4Si/c1-15(2,3)21(6,7)20-13-10-19-14(18)12(13)8-9-16(4,5)11-17/h8,11,13H,9-10H2,1-7H3/b12-8+/t13-/m1/s1
InChIKeyVZAJTOWWPNMXQQ-YQCJOKCJSA-N
XLogP3.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.48
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3E,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-3-propylideneoxolan-2-one
CID 174036209
(2E)-2-[(5S)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]oxolan-3-ylidene]acetaldehyde
CID 10615044
(4E)-4-[(4S)-4-(methoxymethoxy)-2-oxooxolan-3-ylidene]-2,2-dimethylbutanal
CID 11096781
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (1R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate
CID 15256094
(4E)-4-[4-[tert-butyl(dimethyl)silyl]oxy-2-oxooxolan-3-ylidene]-2,2-dimethylbutanal
CID 21581904
(4E)-4-[4-(methoxymethoxy)-2-oxooxolan-3-ylidene]-2,2-dimethylbutanal
CID 21581909

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxooxolan-3-ylidene]-2,2-dimethylbutanal?
The IUPAC name of (4E)-4-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxooxolan-3-ylidene]-2,2-dimethylbutanal (CID 10979895) is (4E)-4-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxooxolan-3-ylidene]-2,2-dimethylbutanal.
What is the SMILES notation for (4E)-4-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxooxolan-3-ylidene]-2,2-dimethylbutanal?
The canonical SMILES for (4E)-4-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxooxolan-3-ylidene]-2,2-dimethylbutanal is CC(C)(C=O)C/C=C1/C(=O)OC[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4E)-4-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxooxolan-3-ylidene]-2,2-dimethylbutanal?
The InChIKey is VZAJTOWWPNMXQQ-YQCJOKCJSA-N. The full InChI is InChI=1S/C16H28O4Si/c1-15(2,3)21(6,7)20-13-10-19-14(18)12(13)8-9-16(4,5)11-17/h8,11,13H,9-10H2,1-7H3/b12-8+/t13-/m1/s1.
What are the key properties of (4E)-4-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxooxolan-3-ylidene]-2,2-dimethylbutanal?
(4E)-4-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxooxolan-3-ylidene]-2,2-dimethylbutanal has a molecular weight of 312.48 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxooxolan-3-ylidene]-2,2-dimethylbutanal is sourced from PubChem (CID 10979895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).