(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopent-3-en-1-yl-2-methylbutanal

C16H30O2Si — CID 11630566

IUPAC(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopent-3-en-1-yl-2-methylbutanal
SMILESC[C@H](C=O)[C@@H](CC1CC=CC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-13(12-17)15(11-14-9-7-8-10-14)18-19(5,6)16(2,3)4/h7-8,12-15H,9-11H2,1-6H3/t13-,15-/m1/s1
InChIKeyVJNJRSSAVFTXHP-UKRRQHHQSA-N
MW282.50 g/mol
LogP4.57
Rot. Bonds6

About (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopent-3-en-1-yl-2-methylbutanal

(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopent-3-en-1-yl-2-methylbutanal (PubChem CID 11630566) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopent-3-en-1-yl-2-methylbutanal.

Molecular Properties

Compound Name(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopent-3-en-1-yl-2-methylbutanal
PubChem CID11630566
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopent-3-en-1-yl-2-methylbutanal
SMILESC[C@H](C=O)[C@@H](CC1CC=CC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-13(12-17)15(11-14-9-7-8-10-14)18-19(5,6)16(2,3)4/h7-8,12-15H,9-11H2,1-6H3/t13-,15-/m1/s1
InChIKeyVJNJRSSAVFTXHP-UKRRQHHQSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(2R,3S,4R,6E,8E)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldeca-6,8-dienal
CID 71546754
(E,2S,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-10-methylidene-7-oxododec-4-enal
CID 10250059
(E,3R,4R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4,6-dimethyldec-8-enal
CID 10882441
(2S,3R)-2-methyl-3-triethylsilyloxyoct-7-enal
CID 134854809
(2S,3S,4S,6E)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnona-6,8-dienal
CID 135013444
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-enal
CID 146161663
(3R,6S)-6-methyl-3-triethylsilyloxyoct-7-enal
CID 25215309
(E,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxonon-7-enal
CID 44475811
(1S,2R)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctyl]-2-hepta-3,4-dienylcyclopent-3-ene-1-carbaldehyde
CID 57151335
(E,4R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxonon-7-enal
CID 59869547
3-[Tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldeca-6,8-dienal
CID 78106853
(4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxonon-7-enal
CID 91089026

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopent-3-en-1-yl-2-methylbutanal?
The IUPAC name of (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopent-3-en-1-yl-2-methylbutanal (CID 11630566) is (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopent-3-en-1-yl-2-methylbutanal.
What is the SMILES notation for (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopent-3-en-1-yl-2-methylbutanal?
The canonical SMILES for (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopent-3-en-1-yl-2-methylbutanal is C[C@H](C=O)[C@@H](CC1CC=CC1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopent-3-en-1-yl-2-methylbutanal?
The InChIKey is VJNJRSSAVFTXHP-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-13(12-17)15(11-14-9-7-8-10-14)18-19(5,6)16(2,3)4/h7-8,12-15H,9-11H2,1-6H3/t13-,15-/m1/s1.
What are the key properties of (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopent-3-en-1-yl-2-methylbutanal?
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopent-3-en-1-yl-2-methylbutanal has a molecular weight of 282.50 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopent-3-en-1-yl-2-methylbutanal is sourced from PubChem (CID 11630566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).