2-ethyl-4-trimethylsilyloxyhept-6-enal

C12H24O2Si — CID 57252947

IUPAC2-ethyl-4-trimethylsilyloxyhept-6-enal
SMILESC=CCC(CC(C=O)CC)O[Si](C)(C)C
InChIInChI=1S/C12H24O2Si/c1-6-8-12(14-15(3,4)5)9-11(7-2)10-13/h6,10-12H,1,7-9H2,2-5H3
InChIKeyRNSMGYAHRPSQBN-UHFFFAOYSA-N
MW228.41 g/mol
LogP3.40
Rot. Bonds8

About 2-ethyl-4-trimethylsilyloxyhept-6-enal

2-ethyl-4-trimethylsilyloxyhept-6-enal (PubChem CID 57252947) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is 2-ethyl-4-trimethylsilyloxyhept-6-enal.

Molecular Properties

Compound Name2-ethyl-4-trimethylsilyloxyhept-6-enal
PubChem CID57252947
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name2-ethyl-4-trimethylsilyloxyhept-6-enal
SMILESC=CCC(CC(C=O)CC)O[Si](C)(C)C
InChIInChI=1S/C12H24O2Si/c1-6-8-12(14-15(3,4)5)9-11(7-2)10-13/h6,10-12H,1,7-9H2,2-5H3
InChIKeyRNSMGYAHRPSQBN-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.40
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylheptanal
CID 134992611
(2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-enal
CID 24884888
(3R)-3-methyl-5-triethylsilyloxyhept-6-enal
CID 25112422
(2S,3R)-2-methyl-3-triethylsilyloxyoct-7-enal
CID 134854809
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal
CID 134930661
(1R,4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]cyclobut-2-ene-1-carbaldehyde
CID 134964705
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-enal
CID 146161663
(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloct-7-en-2-one
CID 154718743
(3R,6S)-6-methyl-3-triethylsilyloxyoct-7-enal
CID 25215309
2-Methyl-4-trimethylsilyloxyhept-6-enal
CID 57055099
2-Propyl-4-trimethylsilyloxyhept-6-enal
CID 57136616
2-Butyl-4-trimethylsilyloxyhept-6-enal
CID 57299910

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-trimethylsilyloxyhept-6-enal?
The IUPAC name of 2-ethyl-4-trimethylsilyloxyhept-6-enal (CID 57252947) is 2-ethyl-4-trimethylsilyloxyhept-6-enal.
What is the SMILES notation for 2-ethyl-4-trimethylsilyloxyhept-6-enal?
The canonical SMILES for 2-ethyl-4-trimethylsilyloxyhept-6-enal is C=CCC(CC(C=O)CC)O[Si](C)(C)C.
What is the InChIKey of 2-ethyl-4-trimethylsilyloxyhept-6-enal?
The InChIKey is RNSMGYAHRPSQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-6-8-12(14-15(3,4)5)9-11(7-2)10-13/h6,10-12H,1,7-9H2,2-5H3.
What are the key properties of 2-ethyl-4-trimethylsilyloxyhept-6-enal?
2-ethyl-4-trimethylsilyloxyhept-6-enal has a molecular weight of 228.41 g/mol, XLogP of 3.40, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-trimethylsilyloxyhept-6-enal is sourced from PubChem (CID 57252947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).