(2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enal

C19H40O3Si2 — CID 11068736

IUPAC(2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enal
SMILESC=CC[C@H](C[C@@H](C=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O3Si2/c1-12-13-16(21-23(8,9)18(2,3)4)14-17(15-20)22-24(10,11)19(5,6)7/h12,15-17H,1,13-14H2,2-11H3/t16-,17+/m1/s1
InChIKeyWIKZKHXUEBQKQG-SJORKVTESA-N
MW372.70 g/mol
LogP5.93
Rot. Bonds9

About (2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enal

(2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enal (PubChem CID 11068736) has the molecular formula C19H40O3Si2 and a molecular weight of 372.70 g/mol. Its IUPAC name is (2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enal.

Molecular Properties

Compound Name(2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enal
PubChem CID11068736
Molecular FormulaC19H40O3Si2
Molecular Weight372.70 g/mol
Exact Mass372.25
IUPAC Name(2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enal
SMILESC=CC[C@H](C[C@@H](C=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O3Si2/c1-12-13-16(21-23(8,9)18(2,3)4)14-17(15-20)22-24(10,11)19(5,6)7/h12,15-17H,1,13-14H2,2-11H3/t16-,17+/m1/s1
InChIKeyWIKZKHXUEBQKQG-SJORKVTESA-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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-[tert-butyl(dimethyl)silyl]oxydodec-6-enal
CID 14409373
(E,2R,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-7-iodohept-6-enal
CID 101448696
2-[Tert-butyl(dimethyl)silyl]oxyhept-6-enal
CID 135036802
(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enal
CID 10970756
(3S,5S)-3,5-Bis{[tert-butyl(dimethyl)silyl]oxy}hept-6-enal
CID 71350098
4-[Tert-butyl(dimethyl)silyl]oxyhexanal;tert-butyl-hex-5-en-3-yloxy-dimethylsilane
CID 157628593
(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-enal
CID 10549646

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enal?
The IUPAC name of (2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enal (CID 11068736) is (2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enal.
What is the SMILES notation for (2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enal?
The canonical SMILES for (2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enal is C=CC[C@H](C[C@@H](C=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enal?
The InChIKey is WIKZKHXUEBQKQG-SJORKVTESA-N. The full InChI is InChI=1S/C19H40O3Si2/c1-12-13-16(21-23(8,9)18(2,3)4)14-17(15-20)22-24(10,11)19(5,6)7/h12,15-17H,1,13-14H2,2-11H3/t16-,17+/m1/s1.
What are the key properties of (2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enal?
(2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-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 (2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enal is sourced from PubChem (CID 11068736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).