(E)-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]hex-2-enal

C17H34O2Si — CID 134877568

IUPAC(E)-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]hex-2-enal
SMILESCCC(/C=C(\C)C=O)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H34O2Si/c1-9-17(10-16(8)11-18)12-19-20(13(2)3,14(4)5)15(6)7/h10-11,13-15,17H,9,12H2,1-8H3/b16-10+
InChIKeyNNQXZZVWJGYFON-MHWRWJLKSA-N
MW298.54 g/mol
LogP5.35
Rot. Bonds9

About (E)-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]hex-2-enal

(E)-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]hex-2-enal (PubChem CID 134877568) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is (E)-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]hex-2-enal.

Molecular Properties

Compound Name(E)-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]hex-2-enal
PubChem CID134877568
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name(E)-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]hex-2-enal
SMILESCCC(/C=C(\C)C=O)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H34O2Si/c1-9-17(10-16(8)11-18)12-19-20(13(2)3,14(4)5)15(6)7/h10-11,13-15,17H,9,12H2,1-8H3/b16-10+
InChIKeyNNQXZZVWJGYFON-MHWRWJLKSA-N
XLogP5.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.35
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'}

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Related Compounds

(E)-7-(tert-butyldimethylsiloxy)-2-methylhept-2-enal
CID 11402629
(E,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-2-enal
CID 10901261
(E,5R,6R)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhept-3-en-2-one
CID 10927504
(Z,4S)-2-ethyl-4-methyl-5-triethylsilyloxypent-2-enal
CID 11172899
(2E,4R,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dienal
CID 11572961
(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-2-enal
CID 11665784
(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-2-enal
CID 14808077
(E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-2-enal
CID 49788314
(E,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-2-enal
CID 71499523
(E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-2-enal
CID 101135390
(2E,4E,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-9-trimethylsilylnona-2,4,8-trienal
CID 101333011
(2E,4E,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnona-2,4-dienal
CID 134865845

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]hex-2-enal?
The IUPAC name of (E)-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]hex-2-enal (CID 134877568) is (E)-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]hex-2-enal.
What is the SMILES notation for (E)-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]hex-2-enal?
The canonical SMILES for (E)-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]hex-2-enal is CCC(/C=C(\C)C=O)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (E)-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]hex-2-enal?
The InChIKey is NNQXZZVWJGYFON-MHWRWJLKSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-9-17(10-16(8)11-18)12-19-20(13(2)3,14(4)5)15(6)7/h10-11,13-15,17H,9,12H2,1-8H3/b16-10+.
What are the key properties of (E)-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]hex-2-enal?
(E)-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]hex-2-enal has a molecular weight of 298.54 g/mol, XLogP of 5.35, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]hex-2-enal is sourced from PubChem (CID 134877568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).