(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal

C12H24O2Si — CID 19914775

IUPAC(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal
SMILESCC(C)(C)[Si](C)(C)OC/C=C/CCC=O
InChIInChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)14-11-9-7-6-8-10-13/h7,9-10H,6,8,11H2,1-5H3/b9-7+
InChIKeySZNJBLOWIDASCR-VQHVLOKHSA-N
MW228.41 g/mol
LogP3.54
Rot. Bonds6

About (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal

(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal (PubChem CID 19914775) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal.

Molecular Properties

Compound Name(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal
PubChem CID19914775
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal
SMILESCC(C)(C)[Si](C)(C)OC/C=C/CCC=O
InChIInChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)14-11-9-7-6-8-10-13/h7,9-10H,6,8,11H2,1-5H3/b9-7+
InChIKeySZNJBLOWIDASCR-VQHVLOKHSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoxy]-dimethylsilane
CID 123215238
tert-butyl-(5,5-dimethylhex-2-enoxy)-dimethylsilane
CID 76815810
tert-butyl-[(Z)-5,5-dimethylhex-2-enoxy]-dimethylsilane
CID 58534802
tert-butyl-dimethyl-[(2Z,6E)-6-methylocta-2,6-dienoxy]silane
CID 124629180
(E)-4-[tert-butyl(dimethyl)silyl]oxy-N-methylbut-2-en-1-amine
CID 125478313
tert-butyl-dimethyl-[(E)-5-[(2R)-oxiran-2-yl]pent-2-enoxy]silane
CID 124636126
(E)-6-[tert-butyl(diphenyl)silyl]oxyhex-4-enal
CID 11089492
4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 85272131
(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 87108753
(E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enal
CID 10466927
tert-butyl [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] carbonate
CID 59981762
(5E,7E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-dienal
CID 10543017

Frequently Asked Questions

What is the IUPAC name of (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal?
The IUPAC name of (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal (CID 19914775) is (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal.
What is the SMILES notation for (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal?
The canonical SMILES for (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal is CC(C)(C)[Si](C)(C)OC/C=C/CCC=O.
What is the InChIKey of (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal?
The InChIKey is SZNJBLOWIDASCR-VQHVLOKHSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)14-11-9-7-6-8-10-13/h7,9-10H,6,8,11H2,1-5H3/b9-7+.
What are the key properties of (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal?
(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal has a molecular weight of 228.41 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal is sourced from PubChem (CID 19914775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).