5-trimethylsilyloxyhexanal

C9H20O2Si — CID 11298420

IUPAC5-trimethylsilyloxyhexanal
SMILESCC(CCCC=O)O[Si](C)(C)C
InChIInChI=1S/C9H20O2Si/c1-9(7-5-6-8-10)11-12(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyWYRJBSHPDSZNSL-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.60
Rot. Bonds6

About 5-trimethylsilyloxyhexanal

5-trimethylsilyloxyhexanal (PubChem CID 11298420) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is 5-trimethylsilyloxyhexanal.

Molecular Properties

Compound Name5-trimethylsilyloxyhexanal
PubChem CID11298420
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name5-trimethylsilyloxyhexanal
SMILESCC(CCCC=O)O[Si](C)(C)C
InChIInChI=1S/C9H20O2Si/c1-9(7-5-6-8-10)11-12(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyWYRJBSHPDSZNSL-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.60
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'}

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Related Compounds

dec-9-en-2-yloxy(trimethyl)silane
CID 11096389
5-propoxyhexanal
CID 57004791
(5S)-5-[tert-butyl(diphenyl)silyl]oxyhexanal
CID 24755231
trimethyl(pentan-2-yloxy)silane
CID 552847
(5S)-5-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 11021146
alumane;5-methylheptanal
CID 175597367
trimethyl-[(2R,4R)-4-trimethylsilyloxypentan-2-yl]oxysilane
CID 11139503
[(2S)-8-oxooctan-2-yl] acetate
CID 72946999
[(2R)-12-oxododecan-2-yl] acetate
CID 102367359
12-hydroxytridecanal
CID 11961599
trimethyl-[(2S)-9-tributylstannylnon-7-en-2-yl]oxysilane
CID 173361556
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnonanal
CID 11558306

Frequently Asked Questions

What is the IUPAC name of 5-trimethylsilyloxyhexanal?
The IUPAC name of 5-trimethylsilyloxyhexanal (CID 11298420) is 5-trimethylsilyloxyhexanal.
What is the SMILES notation for 5-trimethylsilyloxyhexanal?
The canonical SMILES for 5-trimethylsilyloxyhexanal is CC(CCCC=O)O[Si](C)(C)C.
What is the InChIKey of 5-trimethylsilyloxyhexanal?
The InChIKey is WYRJBSHPDSZNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-9(7-5-6-8-10)11-12(2,3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 5-trimethylsilyloxyhexanal?
5-trimethylsilyloxyhexanal has a molecular weight of 188.34 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-trimethylsilyloxyhexanal is sourced from PubChem (CID 11298420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).