2-propyl-4-trimethylsilyloxyhept-6-enal

C13H26O2Si — CID 57136616

IUPAC2-propyl-4-trimethylsilyloxyhept-6-enal
SMILESC=CCC(CC(C=O)CCC)O[Si](C)(C)C
InChIInChI=1S/C13H26O2Si/c1-6-8-12(11-14)10-13(9-7-2)15-16(3,4)5/h7,11-13H,2,6,8-10H2,1,3-5H3
InChIKeyDZHMRRQWTAHZEZ-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.79
Rot. Bonds9

About 2-propyl-4-trimethylsilyloxyhept-6-enal

2-propyl-4-trimethylsilyloxyhept-6-enal (PubChem CID 57136616) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is 2-propyl-4-trimethylsilyloxyhept-6-enal.

Molecular Properties

Compound Name2-propyl-4-trimethylsilyloxyhept-6-enal
PubChem CID57136616
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name2-propyl-4-trimethylsilyloxyhept-6-enal
SMILESC=CCC(CC(C=O)CCC)O[Si](C)(C)C
InChIInChI=1S/C13H26O2Si/c1-6-8-12(11-14)10-13(9-7-2)15-16(3,4)5/h7,11-13H,2,6,8-10H2,1,3-5H3
InChIKeyDZHMRRQWTAHZEZ-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.79
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
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal
CID 134930661
(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloct-7-en-2-one
CID 154718743
2-Methyl-4-trimethylsilyloxyhept-6-enal
CID 57055099
2-Ethyl-4-trimethylsilyloxyhept-6-enal
CID 57252947
2-Butyl-4-trimethylsilyloxyhept-6-enal
CID 57299910
4-Methyl-4-triethylsilyloxyhept-6-enal
CID 152417025
2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde
CID 10911665
2-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde
CID 11118178
6-[Tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal
CID 11499849
(3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-ethylhex-5-enal
CID 16663541
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-6-enal
CID 46855278

Frequently Asked Questions

What is the IUPAC name of 2-propyl-4-trimethylsilyloxyhept-6-enal?
The IUPAC name of 2-propyl-4-trimethylsilyloxyhept-6-enal (CID 57136616) is 2-propyl-4-trimethylsilyloxyhept-6-enal.
What is the SMILES notation for 2-propyl-4-trimethylsilyloxyhept-6-enal?
The canonical SMILES for 2-propyl-4-trimethylsilyloxyhept-6-enal is C=CCC(CC(C=O)CCC)O[Si](C)(C)C.
What is the InChIKey of 2-propyl-4-trimethylsilyloxyhept-6-enal?
The InChIKey is DZHMRRQWTAHZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-6-8-12(11-14)10-13(9-7-2)15-16(3,4)5/h7,11-13H,2,6,8-10H2,1,3-5H3.
What are the key properties of 2-propyl-4-trimethylsilyloxyhept-6-enal?
2-propyl-4-trimethylsilyloxyhept-6-enal has a molecular weight of 242.43 g/mol, XLogP of 3.79, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4-trimethylsilyloxyhept-6-enal is sourced from PubChem (CID 57136616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).