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

C16H32O2Si — CID 134992698

IUPAC(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylheptanal
SMILESC=C[C@](C)(CCCC)[C@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-9-11-12-16(6,10-2)14(13-17)18-19(7,8)15(3,4)5/h10,13-14H,2,9,11-12H2,1,3-8H3/t14-,16+/m0/s1
InChIKeyIOXVWUWOOGEGDF-GOEBONIOSA-N
MW284.52 g/mol
LogP4.96
Rot. Bonds8

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

(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylheptanal (PubChem CID 134992698) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylheptanal.

Molecular Properties

Compound Name(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylheptanal
PubChem CID134992698
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylheptanal
SMILESC=C[C@](C)(CCCC)[C@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-9-11-12-16(6,10-2)14(13-17)18-19(7,8)15(3,4)5/h10,13-14H,2,9,11-12H2,1,3-8H3/t14-,16+/m0/s1
InChIKeyIOXVWUWOOGEGDF-GOEBONIOSA-N
XLogP4.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.96
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-ethenylheptanal
CID 134992611
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal
CID 134930661
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylhexanal
CID 134993133
(2R,3R)-3-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enal
CID 134993139
6-[Tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4-methylidene-7-oxooctanal
CID 11781948
(6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4-methylidene-7-oxooctanal
CID 15408673
2-(2-Methylbut-3-EN-2-YL)-2-[(trimethylsilyl)oxy]hexanal
CID 71423868
(2R)-2-(2-methylbut-3-en-2-yl)-2-trimethylsilyloxyhexanal
CID 102476901
(2S)-2-(2-methylbut-3-en-2-yl)-2-trimethylsilyloxyhexanal
CID 102476902

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylheptanal?
The IUPAC name of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylheptanal (CID 134992698) is (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylheptanal.
What is the SMILES notation for (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylheptanal?
The canonical SMILES for (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylheptanal is C=C[C@](C)(CCCC)[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-methylheptanal?
The InChIKey is IOXVWUWOOGEGDF-GOEBONIOSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-9-11-12-16(6,10-2)14(13-17)18-19(7,8)15(3,4)5/h10,13-14H,2,9,11-12H2,1,3-8H3/t14-,16+/m0/s1.
What are the key properties of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylheptanal?
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylheptanal has a molecular weight of 284.52 g/mol, XLogP of 4.96, 8 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-methylheptanal is sourced from PubChem (CID 134992698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).