11-trimethoxysilylundecanal

C14H30O4Si — CID 45158950

IUPAC11-trimethoxysilylundecanal
SMILESCO[Si](CCCCCCCCCCC=O)(OC)OC
InChIInChI=1S/C14H30O4Si/c1-16-19(17-2,18-3)14-12-10-8-6-4-5-7-9-11-13-15/h13H,4-12,14H2,1-3H3
InChIKeyOCUJVBNIBLSZDM-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.57
Rot. Bonds14

About 11-trimethoxysilylundecanal

11-trimethoxysilylundecanal (PubChem CID 45158950) has the molecular formula C14H30O4Si and a molecular weight of 290.48 g/mol. Its IUPAC name is 11-trimethoxysilylundecanal.

Molecular Properties

Compound Name11-trimethoxysilylundecanal
PubChem CID45158950
Molecular FormulaC14H30O4Si
Molecular Weight290.48 g/mol
Exact Mass290.19
IUPAC Name11-trimethoxysilylundecanal
SMILESCO[Si](CCCCCCCCCCC=O)(OC)OC
InChIInChI=1S/C14H30O4Si/c1-16-19(17-2,18-3)14-12-10-8-6-4-5-7-9-11-13-15/h13H,4-12,14H2,1-3H3
InChIKeyOCUJVBNIBLSZDM-UHFFFAOYSA-N
XLogP3.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 11-trimethoxysilylundecanal?
The IUPAC name of 11-trimethoxysilylundecanal (CID 45158950) is 11-trimethoxysilylundecanal.
What is the SMILES notation for 11-trimethoxysilylundecanal?
The canonical SMILES for 11-trimethoxysilylundecanal is CO[Si](CCCCCCCCCCC=O)(OC)OC.
What is the InChIKey of 11-trimethoxysilylundecanal?
The InChIKey is OCUJVBNIBLSZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4Si/c1-16-19(17-2,18-3)14-12-10-8-6-4-5-7-9-11-13-15/h13H,4-12,14H2,1-3H3.
What are the key properties of 11-trimethoxysilylundecanal?
11-trimethoxysilylundecanal has a molecular weight of 290.48 g/mol, XLogP of 3.57, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-trimethoxysilylundecanal is sourced from PubChem (CID 45158950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).