5-oxo-5-trimethylsilylpentanal

C8H16O2Si — CID 10725875

IUPAC5-oxo-5-trimethylsilylpentanal
SMILESC[Si](C)(C)C(=O)CCCC=O
InChIInChI=1S/C8H16O2Si/c1-11(2,3)8(10)6-4-5-7-9/h7H,4-6H2,1-3H3
InChIKeyCLYLNNKVJYIYII-UHFFFAOYSA-N
MW172.30 g/mol
LogP1.80
Rot. Bonds5

About 5-oxo-5-trimethylsilylpentanal

5-oxo-5-trimethylsilylpentanal (PubChem CID 10725875) has the molecular formula C8H16O2Si and a molecular weight of 172.30 g/mol. Its IUPAC name is 5-oxo-5-trimethylsilylpentanal.

Molecular Properties

Compound Name5-oxo-5-trimethylsilylpentanal
PubChem CID10725875
Molecular FormulaC8H16O2Si
Molecular Weight172.30 g/mol
Exact Mass172.09
IUPAC Name5-oxo-5-trimethylsilylpentanal
SMILESC[Si](C)(C)C(=O)CCCC=O
InChIInChI=1S/C8H16O2Si/c1-11(2,3)8(10)6-4-5-7-9/h7H,4-6H2,1-3H3
InChIKeyCLYLNNKVJYIYII-UHFFFAOYSA-N
XLogP1.80
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.80
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

3-Trimethylsilylpentanal
CID 12824378
5-((Triisopropylsilyl)oxy)pentanal
CID 10901318
Triethylsilylbutanal
CID 20405688
5-Hexynal, 6-(trimethylsilyl)-
CID 11116456
2-Trimethylsilylhexanal
CID 135049435
(3R)-3-trimethylsilylpentanal
CID 642567
6-Oxo-6-trimethylsilylhexanal
CID 10679132
3-Triethylsilylbutanal
CID 54521827
5-Trimethoxysilylpentanal
CID 58609495
5-[[Dimethoxy(propan-2-yl)silyl]oxy-dimethoxysilyl]pentanal
CID 58944483
6-Trimethylsilylhexanal
CID 60096740
5-Triethoxysilylpentanal
CID 85870693

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-trimethylsilylpentanal?
The IUPAC name of 5-oxo-5-trimethylsilylpentanal (CID 10725875) is 5-oxo-5-trimethylsilylpentanal.
What is the SMILES notation for 5-oxo-5-trimethylsilylpentanal?
The canonical SMILES for 5-oxo-5-trimethylsilylpentanal is C[Si](C)(C)C(=O)CCCC=O.
What is the InChIKey of 5-oxo-5-trimethylsilylpentanal?
The InChIKey is CLYLNNKVJYIYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2Si/c1-11(2,3)8(10)6-4-5-7-9/h7H,4-6H2,1-3H3.
What are the key properties of 5-oxo-5-trimethylsilylpentanal?
5-oxo-5-trimethylsilylpentanal has a molecular weight of 172.30 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-trimethylsilylpentanal is sourced from PubChem (CID 10725875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).