(E)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enal

C19H40O3Si2 — CID 19760587

IUPAC(E)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enal
SMILESCC(C)(C)[Si](C)(C)OCCCC(/C=C/C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O3Si2/c1-18(2,3)23(7,8)21-16-12-14-17(13-11-15-20)22-24(9,10)19(4,5)6/h11,13,15,17H,12,14,16H2,1-10H3/b13-11+
InChIKeySZBFMXJOUBKQSP-ACCUITESSA-N
MW372.70 g/mol
LogP5.93
Rot. Bonds9

About (E)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enal

(E)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enal (PubChem CID 19760587) has the molecular formula C19H40O3Si2 and a molecular weight of 372.70 g/mol. Its IUPAC name is (E)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enal.

Molecular Properties

Compound Name(E)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enal
PubChem CID19760587
Molecular FormulaC19H40O3Si2
Molecular Weight372.70 g/mol
Exact Mass372.25
IUPAC Name(E)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enal
SMILESCC(C)(C)[Si](C)(C)OCCCC(/C=C/C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O3Si2/c1-18(2,3)23(7,8)21-16-12-14-17(13-11-15-20)22-24(9,10)19(4,5)6/h11,13,15,17H,12,14,16H2,1-10H3/b13-11+
InChIKeySZBFMXJOUBKQSP-ACCUITESSA-N
XLogP5.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.70
LogP ≤ 55.93
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'}

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Related Compounds

(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enal
CID 11311065
(2E,4S)-4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2-pentenal
CID 10512836
(2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dienal
CID 11732584
(E,4R,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylhept-2-enal
CID 16732549
(2E,4E,6E,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-2,4,6,10-tetraenal
CID 132607456
(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
(E,4S,5S,7S)-4,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-2-methyloct-2-enal
CID 11752921
(2E,5S,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,7-dienal
CID 11954550
(2E,6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienal
CID 21242341
(E)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enal
CID 21578834
(4S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enal
CID 53911941

Frequently Asked Questions

What is the IUPAC name of (E)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enal?
The IUPAC name of (E)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enal (CID 19760587) is (E)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enal.
What is the SMILES notation for (E)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enal?
The canonical SMILES for (E)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enal is CC(C)(C)[Si](C)(C)OCCCC(/C=C/C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enal?
The InChIKey is SZBFMXJOUBKQSP-ACCUITESSA-N. The full InChI is InChI=1S/C19H40O3Si2/c1-18(2,3)23(7,8)21-16-12-14-17(13-11-15-20)22-24(9,10)19(4,5)6/h11,13,15,17H,12,14,16H2,1-10H3/b13-11+.
What are the key properties of (E)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enal?
(E)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enal has a molecular weight of 372.70 g/mol, XLogP of 5.93, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enal is sourced from PubChem (CID 19760587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).