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

C15H30O2Si — CID 134993133

IUPAC(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylhexanal
SMILESC=C[C@](C)(CCC)[C@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-9-11-15(6,10-2)13(12-16)17-18(7,8)14(3,4)5/h10,12-13H,2,9,11H2,1,3-8H3/t13-,15+/m0/s1
InChIKeyJLPCEOQAXULQQI-DZGCQCFKSA-N
MW270.49 g/mol
LogP4.57
Rot. Bonds7

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

(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylhexanal (PubChem CID 134993133) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylhexanal.

Molecular Properties

Compound Name(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylhexanal
PubChem CID134993133
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylhexanal
SMILESC=C[C@](C)(CCC)[C@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-9-11-15(6,10-2)13(12-16)17-18(7,8)14(3,4)5/h10,12-13H,2,9,11H2,1,3-8H3/t13-,15+/m0/s1
InChIKeyJLPCEOQAXULQQI-DZGCQCFKSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
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)-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)-2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylpent-4-enal
CID 10900819
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal
CID 134930661
(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
(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
(2R,3R)-3-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enal
CID 134993139
2-[Tert-butyl(dimethyl)silyl]oxyhept-6-enal
CID 135036802
(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-enal
CID 10549646

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylhexanal?
The IUPAC name of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylhexanal (CID 134993133) is (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylhexanal.
What is the SMILES notation for (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylhexanal?
The canonical SMILES for (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylhexanal is C=C[C@](C)(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-ethenyl-3-methylhexanal?
The InChIKey is JLPCEOQAXULQQI-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-9-11-15(6,10-2)13(12-16)17-18(7,8)14(3,4)5/h10,12-13H,2,9,11H2,1,3-8H3/t13-,15+/m0/s1.
What are the key properties of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylhexanal?
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylhexanal has a molecular weight of 270.49 g/mol, XLogP of 4.57, 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-ethenyl-3-methylhexanal is sourced from PubChem (CID 134993133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).