(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enal

C11H22O2Si — CID 11600961

IUPAC(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enal
SMILESCC(C)(C)[Si](C)(C)OCC/C=C/C=O
InChIInChI=1S/C11H22O2Si/c1-11(2,3)14(4,5)13-10-8-6-7-9-12/h6-7,9H,8,10H2,1-5H3/b7-6+
InChIKeyLFNYJQBWDJFWAM-VOTSOKGWSA-N
MW214.38 g/mol
LogP3.15
Rot. Bonds5

About (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enal

(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enal (PubChem CID 11600961) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enal.

Molecular Properties

Compound Name(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enal
PubChem CID11600961
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enal
SMILESCC(C)(C)[Si](C)(C)OCC/C=C/C=O
InChIInChI=1S/C11H22O2Si/c1-11(2,3)14(4,5)13-10-8-6-7-9-12/h6-7,9H,8,10H2,1-5H3/b7-6+
InChIKeyLFNYJQBWDJFWAM-VOTSOKGWSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 53.15
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

(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enal
CID 11311065
(2E,4S)-4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2-pentenal
CID 10512836
(2Z)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]acetaldehyde
CID 10910861
(Z)-2-fluoro-5-(tert-butyldimethylsilyloxy)-2-pentenal
CID 20063409
(Z)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enal
CID 21651764
5-[Dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enal
CID 53786690
2-Fluoro-5-(tert-butyldimethylsilyloxy)-2-pentenal
CID 54231229
(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enal
CID 88472264
(E)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enal
CID 88610366
(Z,4S)-2-ethyl-4-methyl-5-triethylsilyloxypent-2-enal
CID 11172899
(Z,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal
CID 11206942
(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enal
CID 11380224

Frequently Asked Questions

What is the IUPAC name of (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enal?
The IUPAC name of (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enal (CID 11600961) is (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enal.
What is the SMILES notation for (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enal?
The canonical SMILES for (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enal is CC(C)(C)[Si](C)(C)OCC/C=C/C=O.
What is the InChIKey of (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enal?
The InChIKey is LFNYJQBWDJFWAM-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-11(2,3)14(4,5)13-10-8-6-7-9-12/h6-7,9H,8,10H2,1-5H3/b7-6+.
What are the key properties of (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enal?
(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enal has a molecular weight of 214.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enal is sourced from PubChem (CID 11600961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).