(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enal

C12H24O2Si — CID 11310746

IUPAC(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enal
SMILESCC(C)(C)[Si](C)(C)OCCC/C=C/C=O
InChIInChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)14-11-9-7-6-8-10-13/h6,8,10H,7,9,11H2,1-5H3/b8-6+
InChIKeyDLAVNOLVLNHAMB-SOFGYWHQSA-N
MW228.41 g/mol
LogP3.54
Rot. Bonds6

About (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enal

(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enal (PubChem CID 11310746) 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-2-enal.

Molecular Properties

Compound Name(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enal
PubChem CID11310746
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enal
SMILESCC(C)(C)[Si](C)(C)OCCC/C=C/C=O
InChIInChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)14-11-9-7-6-8-10-13/h6,8,10H,7,9,11H2,1-5H3/b8-6+
InChIKeyDLAVNOLVLNHAMB-SOFGYWHQSA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E,7E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-dienal
CID 10543017
tert-butyl-[(4E,6E,8E)-deca-4,6,8-trienoxy]-dimethylsilane
CID 134860974
tert-butyl-[(E)-hex-4-enoxy]-dimethylsilane
CID 15936622
tert-butyl-[(10E,12Z)-hexadeca-10,12-dienoxy]-dimethylsilane
CID 11371613
tert-butyl-[(7Z,9Z,11Z,13Z)-hexadeca-7,9,11,13-tetraenoxy]-dimethylsilane
CID 101176101
ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10826090
tert-butyl-dimethyl-[(Z)-tetracos-15-enoxy]silane
CID 6430267
tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane
CID 6430269
tert-butyl-dimethyl-[(Z)-non-6-enoxy]silane
CID 59602006
tert-butyl-dimethyl-[(E)-octadec-6-enoxy]silane
CID 6430282
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127

Frequently Asked Questions

What is the IUPAC name of (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enal?
The IUPAC name of (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enal (CID 11310746) is (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enal.
What is the SMILES notation for (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enal?
The canonical SMILES for (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enal is CC(C)(C)[Si](C)(C)OCCC/C=C/C=O.
What is the InChIKey of (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enal?
The InChIKey is DLAVNOLVLNHAMB-SOFGYWHQSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)14-11-9-7-6-8-10-13/h6,8,10H,7,9,11H2,1-5H3/b8-6+.
What are the key properties of (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enal?
(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-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-2-enal is sourced from PubChem (CID 11310746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).