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

C18H38O3Si2 — CID 10904450

IUPAC(Z,2R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-enal
SMILESCC(C)(C)[Si](C)(C)OC/C=C\C[C@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O3Si2/c1-17(2,3)22(7,8)20-14-12-11-13-16(15-19)21-23(9,10)18(4,5)6/h11-12,15-16H,13-14H2,1-10H3/b12-11-/t16-/m1/s1
InChIKeyDESAZFJDEBGUTO-YUQCYMQKSA-N
MW358.67 g/mol
LogP5.54
Rot. Bonds8

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

(Z,2R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-enal (PubChem CID 10904450) has the molecular formula C18H38O3Si2 and a molecular weight of 358.67 g/mol. Its IUPAC name is (Z,2R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-enal.

Molecular Properties

Compound Name(Z,2R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-enal
PubChem CID10904450
Molecular FormulaC18H38O3Si2
Molecular Weight358.67 g/mol
Exact Mass358.24
IUPAC Name(Z,2R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-enal
SMILESCC(C)(C)[Si](C)(C)OC/C=C\C[C@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O3Si2/c1-17(2,3)22(7,8)20-14-12-11-13-16(15-19)21-23(9,10)18(4,5)6/h11-12,15-16H,13-14H2,1-10H3/b12-11-/t16-/m1/s1
InChIKeyDESAZFJDEBGUTO-YUQCYMQKSA-N
XLogP5.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.67
LogP ≤ 55.54
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

4-Hexenal, 3-(t-butyldimethylsilyloxy)-
CID 5366923
(E,3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enal
CID 11138911
(Z,2S)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal
CID 10636838
(E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-enal
CID 11961736
(Z)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal
CID 134895328
(3R,4E,6Z,9Z,12Z)-3-[tert-butyl(dimethyl)silyl]oxypentadeca-4,6,9,12-tetraenal
CID 138968524
(3S,4E,6Z,9Z,12Z)-3-[tert-butyl(dimethyl)silyl]oxypentadeca-4,6,9,12-tetraenal
CID 138968657
(2E,4S,6Z,9Z)-4,12-bis[[tert-butyl(dimethyl)silyl]oxy]dodeca-2,6,9-trienal
CID 138968661
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-prop-2-enylpent-3-enal
CID 138969756
(4E,6Z,9Z,12Z)-3-[tert-butyl(dimethyl)silyl]oxypentadeca-4,6,9,12-tetraenal
CID 138970874
(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylhex-4-enal
CID 155934417
(2R)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal
CID 54381278

Frequently Asked Questions

What is the IUPAC name of (Z,2R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-enal?
The IUPAC name of (Z,2R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-enal (CID 10904450) is (Z,2R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-enal.
What is the SMILES notation for (Z,2R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-enal?
The canonical SMILES for (Z,2R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-enal is CC(C)(C)[Si](C)(C)OC/C=C\C[C@H](C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z,2R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-enal?
The InChIKey is DESAZFJDEBGUTO-YUQCYMQKSA-N. The full InChI is InChI=1S/C18H38O3Si2/c1-17(2,3)22(7,8)20-14-12-11-13-16(15-19)21-23(9,10)18(4,5)6/h11-12,15-16H,13-14H2,1-10H3/b12-11-/t16-/m1/s1.
What are the key properties of (Z,2R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-enal?
(Z,2R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-enal has a molecular weight of 358.67 g/mol, XLogP of 5.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-enal is sourced from PubChem (CID 10904450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).