(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enal

C13H26O2Si — CID 11311065

IUPAC(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enal
SMILESCC(C)(C)[Si](C)(C)OCCCC/C=C/C=O
InChIInChI=1S/C13H26O2Si/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11-14/h7,9,11H,6,8,10,12H2,1-5H3/b9-7+
InChIKeyWLWBLILLOFEHJL-VQHVLOKHSA-N
MW242.43 g/mol
LogP3.93
Rot. Bonds7

About (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enal

(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enal (PubChem CID 11311065) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enal.

Molecular Properties

Compound Name(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enal
PubChem CID11311065
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enal
SMILESCC(C)(C)[Si](C)(C)OCCCC/C=C/C=O
InChIInChI=1S/C13H26O2Si/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11-14/h7,9,11H,6,8,10,12H2,1-5H3/b9-7+
InChIKeyWLWBLILLOFEHJL-VQHVLOKHSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.93
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)-3-methyl-6-triethylsilyloxyhex-2-enal
CID 101521914
(E)-7-(tert-butyldimethylsiloxy)-2-methylhept-2-enal
CID 11402629
(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enal
CID 11600961
(E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal
CID 11287978
(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-one
CID 13067722
(Z,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal
CID 11206942
(Z)-2-[tert-butyl(dimethyl)silyl]oxyhept-2-enal
CID 11218732
(E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enal
CID 11499590
(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal
CID 11715676
(2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dienal
CID 11732584
(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-3-en-2-one
CID 12021523
(Z)-7-[tert-butyl(dimethyl)silyl]oxy-3-trimethylstannylhept-2-enal
CID 14591868

Frequently Asked Questions

What is the IUPAC name of (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enal?
The IUPAC name of (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enal (CID 11311065) is (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enal.
What is the SMILES notation for (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enal?
The canonical SMILES for (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enal is CC(C)(C)[Si](C)(C)OCCCC/C=C/C=O.
What is the InChIKey of (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enal?
The InChIKey is WLWBLILLOFEHJL-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11-14/h7,9,11H,6,8,10,12H2,1-5H3/b9-7+.
What are the key properties of (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enal?
(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enal has a molecular weight of 242.43 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enal is sourced from PubChem (CID 11311065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).