6-oxo-6-trimethylsilylhexanal

C9H18O2Si — CID 10679132

IUPAC6-oxo-6-trimethylsilylhexanal
SMILESC[Si](C)(C)C(=O)CCCCC=O
InChIInChI=1S/C9H18O2Si/c1-12(2,3)9(11)7-5-4-6-8-10/h8H,4-7H2,1-3H3
InChIKeyPOBXGAAZNMROOV-UHFFFAOYSA-N
MW186.33 g/mol
LogP2.19
Rot. Bonds6

About 6-oxo-6-trimethylsilylhexanal

6-oxo-6-trimethylsilylhexanal (PubChem CID 10679132) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is 6-oxo-6-trimethylsilylhexanal.

Molecular Properties

Compound Name6-oxo-6-trimethylsilylhexanal
PubChem CID10679132
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Name6-oxo-6-trimethylsilylhexanal
SMILESC[Si](C)(C)C(=O)CCCCC=O
InChIInChI=1S/C9H18O2Si/c1-12(2,3)9(11)7-5-4-6-8-10/h8H,4-7H2,1-3H3
InChIKeyPOBXGAAZNMROOV-UHFFFAOYSA-N
XLogP2.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 52.19
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'}

Analyze 6-oxo-6-trimethylsilylhexanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(Tert-butyldimethylsilyl)oxy]hexanal
CID 11128129
1-(Trimethylsilyl)-1,5-pentanedione
CID 10725875
3-Trimethylsilylpentanal
CID 12824378
2-(Trimethylsilylmethyl)hexanal
CID 14527625
8-Trimethylsilyloct-6-ynal
CID 10512108
2-Trimethylsilylheptanal
CID 10867073
2-[Tert-butyl(dimethyl)silyl]octanal
CID 11831616
2-[[Tert-butyl(dimethyl)silyl]methyl]hexanal
CID 14527626
2-[Tert-butyl(dimethyl)silyl]heptanal
CID 14527632
2-[Tert-butyl(dimethyl)silyl]-1-deuteriooctan-1-one
CID 101708371
2-Trimethylsilylhexanal
CID 135049435
(2S)-2-[tert-butyl(dimethyl)silyl]octanal
CID 135049478

Frequently Asked Questions

What is the IUPAC name of 6-oxo-6-trimethylsilylhexanal?
The IUPAC name of 6-oxo-6-trimethylsilylhexanal (CID 10679132) is 6-oxo-6-trimethylsilylhexanal.
What is the SMILES notation for 6-oxo-6-trimethylsilylhexanal?
The canonical SMILES for 6-oxo-6-trimethylsilylhexanal is C[Si](C)(C)C(=O)CCCCC=O.
What is the InChIKey of 6-oxo-6-trimethylsilylhexanal?
The InChIKey is POBXGAAZNMROOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-12(2,3)9(11)7-5-4-6-8-10/h8H,4-7H2,1-3H3.
What are the key properties of 6-oxo-6-trimethylsilylhexanal?
6-oxo-6-trimethylsilylhexanal has a molecular weight of 186.33 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-6-trimethylsilylhexanal is sourced from PubChem (CID 10679132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).