(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal

C14H28O2Si — CID 134930661

IUPAC(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal
SMILESC=C[C@H](CCC)[C@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-8-10-12(9-2)13(11-15)16-17(6,7)14(3,4)5/h9,11-13H,2,8,10H2,1,3-7H3/t12-,13+/m1/s1
InChIKeyKNGWZTZUPJYVTR-OLZOCXBDSA-N
MW256.46 g/mol
LogP4.18
Rot. Bonds7

About (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal

(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal (PubChem CID 134930661) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal.

Molecular Properties

Compound Name(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal
PubChem CID134930661
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal
SMILESC=C[C@H](CCC)[C@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-8-10-12(9-2)13(11-15)16-17(6,7)14(3,4)5/h9,11-13H,2,8,10H2,1,3-7H3/t12-,13+/m1/s1
InChIKeyKNGWZTZUPJYVTR-OLZOCXBDSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.18
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)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethylpent-4-enal
CID 134931119
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylheptanal
CID 134992611
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylpent-4-enal
CID 134992905
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enal
CID 10977251
(2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-enal
CID 24884888
(3R)-3-methyl-5-triethylsilyloxyhept-6-enal
CID 25112422
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-propan-2-ylpent-4-enal
CID 134930856
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-3-methylpent-4-enal
CID 134931030
(1R,4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]cyclobut-2-ene-1-carbaldehyde
CID 134964705
(2R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-enal
CID 134967854
(2R,3R)-3-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxypent-4-enal
CID 134992612
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylheptanal
CID 134992698

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal?
The IUPAC name of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal (CID 134930661) is (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal.
What is the SMILES notation for (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal?
The canonical SMILES for (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal is C=C[C@H](CCC)[C@H](C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal?
The InChIKey is KNGWZTZUPJYVTR-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-8-10-12(9-2)13(11-15)16-17(6,7)14(3,4)5/h9,11-13H,2,8,10H2,1,3-7H3/t12-,13+/m1/s1.
What are the key properties of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal?
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal has a molecular weight of 256.46 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal is sourced from PubChem (CID 134930661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).