5,5,9-trimethyl-9-trimethylsilyloxydecanal

C16H34O2Si — CID 21261659

IUPAC5,5,9-trimethyl-9-trimethylsilyloxydecanal
SMILESCC(C)(CCCC=O)CCCC(C)(C)O[Si](C)(C)C
InChIInChI=1S/C16H34O2Si/c1-15(2,11-8-9-14-17)12-10-13-16(3,4)18-19(5,6)7/h14H,8-13H2,1-7H3
InChIKeyNVVDBWHQPJSAOU-UHFFFAOYSA-N
MW286.53 g/mol
LogP5.18
Rot. Bonds10

About 5,5,9-trimethyl-9-trimethylsilyloxydecanal

5,5,9-trimethyl-9-trimethylsilyloxydecanal (PubChem CID 21261659) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is 5,5,9-trimethyl-9-trimethylsilyloxydecanal.

Molecular Properties

Compound Name5,5,9-trimethyl-9-trimethylsilyloxydecanal
PubChem CID21261659
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Name5,5,9-trimethyl-9-trimethylsilyloxydecanal
SMILESCC(C)(CCCC=O)CCCC(C)(C)O[Si](C)(C)C
InChIInChI=1S/C16H34O2Si/c1-15(2,11-8-9-14-17)12-10-13-16(3,4)18-19(5,6)7/h14H,8-13H2,1-7H3
InChIKeyNVVDBWHQPJSAOU-UHFFFAOYSA-N
XLogP5.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.53
LogP ≤ 55.18
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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Frequently Asked Questions

What is the IUPAC name of 5,5,9-trimethyl-9-trimethylsilyloxydecanal?
The IUPAC name of 5,5,9-trimethyl-9-trimethylsilyloxydecanal (CID 21261659) is 5,5,9-trimethyl-9-trimethylsilyloxydecanal.
What is the SMILES notation for 5,5,9-trimethyl-9-trimethylsilyloxydecanal?
The canonical SMILES for 5,5,9-trimethyl-9-trimethylsilyloxydecanal is CC(C)(CCCC=O)CCCC(C)(C)O[Si](C)(C)C.
What is the InChIKey of 5,5,9-trimethyl-9-trimethylsilyloxydecanal?
The InChIKey is NVVDBWHQPJSAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-15(2,11-8-9-14-17)12-10-13-16(3,4)18-19(5,6)7/h14H,8-13H2,1-7H3.
What are the key properties of 5,5,9-trimethyl-9-trimethylsilyloxydecanal?
5,5,9-trimethyl-9-trimethylsilyloxydecanal has a molecular weight of 286.53 g/mol, XLogP of 5.18, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,9-trimethyl-9-trimethylsilyloxydecanal is sourced from PubChem (CID 21261659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).