(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2-methylideneoct-6-enal

C25H32O3Si — CID 5375585

IUPAC(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2-methylideneoct-6-enal
SMILESC=C(C=O)C(O)CC(/C=C/C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H32O3Si/c1-6-13-21(18-24(27)20(2)19-26)28-29(25(3,4)5,22-14-9-7-10-15-22)23-16-11-8-12-17-23/h6-17,19,21,24,27H,2,18H2,1,3-5H3/b13-6+
InChIKeyBGJOROFETNPHTG-AWNIVKPZSA-N
MW408.61 g/mol
LogP4.01
Rot. Bonds9

About (E)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2-methylideneoct-6-enal

(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2-methylideneoct-6-enal (PubChem CID 5375585) has the molecular formula C25H32O3Si and a molecular weight of 408.61 g/mol. Its IUPAC name is (E)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2-methylideneoct-6-enal.

Molecular Properties

Compound Name(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2-methylideneoct-6-enal
PubChem CID5375585
Molecular FormulaC25H32O3Si
Molecular Weight408.61 g/mol
Exact Mass408.21
IUPAC Name(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2-methylideneoct-6-enal
SMILESC=C(C=O)C(O)CC(/C=C/C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H32O3Si/c1-6-13-21(18-24(27)20(2)19-26)28-29(25(3,4)5,22-14-9-7-10-15-22)23-16-11-8-12-17-23/h6-17,19,21,24,27H,2,18H2,1,3-5H3/b13-6+
InChIKeyBGJOROFETNPHTG-AWNIVKPZSA-N
XLogP4.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.61
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanal
CID 10936306
3-[tert-butyl(diphenyl)silyl]oxypent-4-enal
CID 85402432
(E)-4-[tert-butyl(diphenyl)silyl]oxyhept-2-ene-1,7-diol
CID 177462583
methyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoate
CID 11303215
tert-butyl-[(E,3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxy-diphenylsilane
CID 10713704
prop-2-enyl (3S,5R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-6-oxohexanoate
CID 14669635
(2S,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-ol
CID 10992951
(2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal
CID 10937503
(3R,6R)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-3-ol
CID 56971432
(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol
CID 102030687
tert-butyl-[(2Z,7Z)-nona-2,7-dien-5-yl]oxy-diphenylsilane
CID 58139640
propan-2-yl N-[(3R)-5-[tert-butyl(diphenyl)silyl]oxyhept-6-en-3-yl]carbamate
CID 67134844

Frequently Asked Questions

What is the IUPAC name of (E)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2-methylideneoct-6-enal?
The IUPAC name of (E)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2-methylideneoct-6-enal (CID 5375585) is (E)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2-methylideneoct-6-enal.
What is the SMILES notation for (E)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2-methylideneoct-6-enal?
The canonical SMILES for (E)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2-methylideneoct-6-enal is C=C(C=O)C(O)CC(/C=C/C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (E)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2-methylideneoct-6-enal?
The InChIKey is BGJOROFETNPHTG-AWNIVKPZSA-N. The full InChI is InChI=1S/C25H32O3Si/c1-6-13-21(18-24(27)20(2)19-26)28-29(25(3,4)5,22-14-9-7-10-15-22)23-16-11-8-12-17-23/h6-17,19,21,24,27H,2,18H2,1,3-5H3/b13-6+.
What are the key properties of (E)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2-methylideneoct-6-enal?
(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2-methylideneoct-6-enal has a molecular weight of 408.61 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2-methylideneoct-6-enal is sourced from PubChem (CID 5375585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).