(2S,3R)-2-ethyl-2-methyl-3-triphenylsilyloxyheptanal

C28H34O2Si — CID 14843640

IUPAC(2S,3R)-2-ethyl-2-methyl-3-triphenylsilyloxyheptanal
SMILESCCCC[C@@H](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)[C@@](C)(C=O)CC
InChIInChI=1S/C28H34O2Si/c1-4-6-22-27(28(3,5-2)23-29)30-31(24-16-10-7-11-17-24,25-18-12-8-13-19-25)26-20-14-9-15-21-26/h7-21,23,27H,4-6,22H2,1-3H3/t27-,28-/m1/s1
InChIKeyXYTXYSJUMJUVLF-VSGBNLITSA-N
MW430.66 g/mol
LogP4.84
Rot. Bonds11

About (2S,3R)-2-ethyl-2-methyl-3-triphenylsilyloxyheptanal

(2S,3R)-2-ethyl-2-methyl-3-triphenylsilyloxyheptanal (PubChem CID 14843640) has the molecular formula C28H34O2Si and a molecular weight of 430.66 g/mol. Its IUPAC name is (2S,3R)-2-ethyl-2-methyl-3-triphenylsilyloxyheptanal.

Molecular Properties

Compound Name(2S,3R)-2-ethyl-2-methyl-3-triphenylsilyloxyheptanal
PubChem CID14843640
Molecular FormulaC28H34O2Si
Molecular Weight430.66 g/mol
Exact Mass430.23
IUPAC Name(2S,3R)-2-ethyl-2-methyl-3-triphenylsilyloxyheptanal
SMILESCCCC[C@@H](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)[C@@](C)(C=O)CC
InChIInChI=1S/C28H34O2Si/c1-4-6-22-27(28(3,5-2)23-29)30-31(24-16-10-7-11-17-24,25-18-12-8-13-19-25)26-20-14-9-15-21-26/h7-21,23,27H,4-6,22H2,1-3H3/t27-,28-/m1/s1
InChIKeyXYTXYSJUMJUVLF-VSGBNLITSA-N
XLogP4.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.66
LogP ≤ 54.84
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': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal
CID 10937503
tert-butyl-[(2R)-hexan-2-yl]oxy-diphenylsilane
CID 134846417
2-[[tert-butyl(diphenyl)silyl]methyl]hexanal
CID 14227109
1-triphenylsilyloxybutane-1-thiol
CID 134938081
2,2-dimethyl-3-phenylheptanal
CID 174996144
(5S)-5-[tert-butyl(diphenyl)silyl]oxyhexanal
CID 24755231
tert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane
CID 11634122
tert-butyl-diphenyl-tetradecan-2-yloxysilane
CID 71344239
tert-butyl-[(E,3R)-1-iodooct-1-en-3-yl]oxy-diphenylsilane
CID 10719924
tert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane
CID 140673619
[(2S)-2-[tert-butyl(diphenyl)silyl]oxytetradecyl] 2,2-dimethylpropanoate
CID 134839010
(3R)-3-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol
CID 58876341

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-ethyl-2-methyl-3-triphenylsilyloxyheptanal?
The IUPAC name of (2S,3R)-2-ethyl-2-methyl-3-triphenylsilyloxyheptanal (CID 14843640) is (2S,3R)-2-ethyl-2-methyl-3-triphenylsilyloxyheptanal.
What is the SMILES notation for (2S,3R)-2-ethyl-2-methyl-3-triphenylsilyloxyheptanal?
The canonical SMILES for (2S,3R)-2-ethyl-2-methyl-3-triphenylsilyloxyheptanal is CCCC[C@@H](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)[C@@](C)(C=O)CC.
What is the InChIKey of (2S,3R)-2-ethyl-2-methyl-3-triphenylsilyloxyheptanal?
The InChIKey is XYTXYSJUMJUVLF-VSGBNLITSA-N. The full InChI is InChI=1S/C28H34O2Si/c1-4-6-22-27(28(3,5-2)23-29)30-31(24-16-10-7-11-17-24,25-18-12-8-13-19-25)26-20-14-9-15-21-26/h7-21,23,27H,4-6,22H2,1-3H3/t27-,28-/m1/s1.
What are the key properties of (2S,3R)-2-ethyl-2-methyl-3-triphenylsilyloxyheptanal?
(2S,3R)-2-ethyl-2-methyl-3-triphenylsilyloxyheptanal has a molecular weight of 430.66 g/mol, XLogP of 4.84, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-ethyl-2-methyl-3-triphenylsilyloxyheptanal is sourced from PubChem (CID 14843640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).