(2E)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]penta-2,4-dienal

C12H22O2Si — CID 101238269

IUPAC(2E)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]penta-2,4-dienal
SMILESC=C/C(=C\C=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H22O2Si/c1-7-11(8-9-13)10-14-15(5,6)12(2,3)4/h7-9H,1,10H2,2-6H3/b11-8+
InChIKeyOXZVLQXRVLJTJD-DHZHZOJOSA-N
MW226.39 g/mol
LogP3.32
Rot. Bonds5

About (2E)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]penta-2,4-dienal

(2E)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]penta-2,4-dienal (PubChem CID 101238269) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is (2E)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]penta-2,4-dienal.

Molecular Properties

Compound Name(2E)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]penta-2,4-dienal
PubChem CID101238269
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name(2E)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]penta-2,4-dienal
SMILESC=C/C(=C\C=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H22O2Si/c1-7-11(8-9-13)10-14-15(5,6)12(2,3)4/h7-9H,1,10H2,2-6H3/b11-8+
InChIKeyOXZVLQXRVLJTJD-DHZHZOJOSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]penta-2,4-dienal with MolForge

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Related Compounds

tert-butyl-dimethyl-(2-methylidenebut-3-enoxy)silane
CID 10058581
(2E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]penta-2,4-dienal
CID 146163181
(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal
CID 42611333
(E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enal
CID 10466927
tert-butyl-[2-(iodomethyl)prop-2-enoxy]-dimethylsilane
CID 11358863
tert-butyl-dimethyl-[(E)-2-methylidenehex-3-enoxy]silane
CID 11229887
4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 71340946
3-[[tert-butyl(dimethyl)silyl]oxymethyl]but-3-en-1-ol
CID 135040003
tert-butyl-dimethyl-prop-2-enoxysilane;trimethyl(prop-2-enoxy)silane
CID 87853444
(4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-1,6-dien-4-ol
CID 135040202
(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)hex-2-enal
CID 135014928
acetic acid;4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 71342470

Frequently Asked Questions

What is the IUPAC name of (2E)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]penta-2,4-dienal?
The IUPAC name of (2E)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]penta-2,4-dienal (CID 101238269) is (2E)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]penta-2,4-dienal.
What is the SMILES notation for (2E)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]penta-2,4-dienal?
The canonical SMILES for (2E)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]penta-2,4-dienal is C=C/C(=C\C=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2E)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]penta-2,4-dienal?
The InChIKey is OXZVLQXRVLJTJD-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-7-11(8-9-13)10-14-15(5,6)12(2,3)4/h7-9H,1,10H2,2-6H3/b11-8+.
What are the key properties of (2E)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]penta-2,4-dienal?
(2E)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]penta-2,4-dienal has a molecular weight of 226.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]penta-2,4-dienal is sourced from PubChem (CID 101238269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).