(Z,4S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enal

C20H42O3Si2 — CID 11728780

IUPAC(Z,4S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enal
SMILESCC(C)(C)[Si](C)(C)OCCCC[C@@H](/C=C\C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O3Si2/c1-19(2,3)24(7,8)22-17-12-11-14-18(15-13-16-21)23-25(9,10)20(4,5)6/h13,15-16,18H,11-12,14,17H2,1-10H3/b15-13-/t18-/m0/s1
InChIKeyIEJIGZZONMOVCT-OJSRQPNCSA-N
MW386.73 g/mol
LogP6.32
Rot. Bonds10

About (Z,4S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enal

(Z,4S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enal (PubChem CID 11728780) has the molecular formula C20H42O3Si2 and a molecular weight of 386.73 g/mol. Its IUPAC name is (Z,4S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enal.

Molecular Properties

Compound Name(Z,4S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enal
PubChem CID11728780
Molecular FormulaC20H42O3Si2
Molecular Weight386.73 g/mol
Exact Mass386.27
IUPAC Name(Z,4S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enal
SMILESCC(C)(C)[Si](C)(C)OCCCC[C@@H](/C=C\C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O3Si2/c1-19(2,3)24(7,8)22-17-12-11-14-18(15-13-16-21)23-25(9,10)20(4,5)6/h13,15-16,18H,11-12,14,17H2,1-10H3/b15-13-/t18-/m0/s1
InChIKeyIEJIGZZONMOVCT-OJSRQPNCSA-N
XLogP6.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.73
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z,4S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enal with MolForge

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Related Compounds

(Z)-8-[tert-butyl(dimethyl)silyl]oxy-3-iodo-4-triethylsilyloxyoct-2-enal
CID 44604040
(E,8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]dec-3-en-2-one
CID 134838203
tert-butyl-[(5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyldeca-6,9-dienoxy]-dimethylsilane
CID 134960246
(E,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-2-enal
CID 138968523
(2E,4S,6Z,9Z)-4,12-bis[[tert-butyl(dimethyl)silyl]oxy]dodeca-2,6,9-trienal
CID 138968661
(2E,5S,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,7-dienal
CID 11954550
(E)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enal
CID 19760587
(4S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enal
CID 53911941
4,7-Bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enal
CID 54332105
(2E,5S,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,7-dienal
CID 89241051
(E,8R)-8-[tert-butyl(dimethyl)silyl]oxynon-2-enal
CID 89996326
(E)-5-[tert-butyl(dimethyl)silyl]oxydec-3-en-2-one
CID 159397916

Frequently Asked Questions

What is the IUPAC name of (Z,4S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enal?
The IUPAC name of (Z,4S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enal (CID 11728780) is (Z,4S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enal.
What is the SMILES notation for (Z,4S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enal?
The canonical SMILES for (Z,4S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enal is CC(C)(C)[Si](C)(C)OCCCC[C@@H](/C=C\C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z,4S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enal?
The InChIKey is IEJIGZZONMOVCT-OJSRQPNCSA-N. The full InChI is InChI=1S/C20H42O3Si2/c1-19(2,3)24(7,8)22-17-12-11-14-18(15-13-16-21)23-25(9,10)20(4,5)6/h13,15-16,18H,11-12,14,17H2,1-10H3/b15-13-/t18-/m0/s1.
What are the key properties of (Z,4S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enal?
(Z,4S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enal has a molecular weight of 386.73 g/mol, XLogP of 6.32, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enal is sourced from PubChem (CID 11728780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).