(2,2-dimethyloxasilinan-6-yl) octadecanoate

C24H48O3Si — CID 174505601

IUPAC(2,2-dimethyloxasilinan-6-yl) octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OC1CCC[Si](C)(C)O1
InChIInChI=1S/C24H48O3Si/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)26-24-21-19-22-28(2,3)27-24/h24H,4-22H2,1-3H3
InChIKeyUAOUCUSUGWAUSJ-UHFFFAOYSA-N
MW412.73 g/mol
LogP8.13
Rot. Bonds17

About (2,2-dimethyloxasilinan-6-yl) octadecanoate

(2,2-dimethyloxasilinan-6-yl) octadecanoate (PubChem CID 174505601) has the molecular formula C24H48O3Si and a molecular weight of 412.73 g/mol. Its IUPAC name is (2,2-dimethyloxasilinan-6-yl) octadecanoate.

Molecular Properties

Compound Name(2,2-dimethyloxasilinan-6-yl) octadecanoate
PubChem CID174505601
Molecular FormulaC24H48O3Si
Molecular Weight412.73 g/mol
Exact Mass412.34
IUPAC Name(2,2-dimethyloxasilinan-6-yl) octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OC1CCC[Si](C)(C)O1
InChIInChI=1S/C24H48O3Si/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)26-24-21-19-22-28(2,3)27-24/h24H,4-22H2,1-3H3
InChIKeyUAOUCUSUGWAUSJ-UHFFFAOYSA-N
XLogP8.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.73
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (2,2-dimethyloxasilinan-6-yl) octadecanoate?
The IUPAC name of (2,2-dimethyloxasilinan-6-yl) octadecanoate (CID 174505601) is (2,2-dimethyloxasilinan-6-yl) octadecanoate.
What is the SMILES notation for (2,2-dimethyloxasilinan-6-yl) octadecanoate?
The canonical SMILES for (2,2-dimethyloxasilinan-6-yl) octadecanoate is CCCCCCCCCCCCCCCCCC(=O)OC1CCC[Si](C)(C)O1.
What is the InChIKey of (2,2-dimethyloxasilinan-6-yl) octadecanoate?
The InChIKey is UAOUCUSUGWAUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O3Si/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)26-24-21-19-22-28(2,3)27-24/h24H,4-22H2,1-3H3.
What are the key properties of (2,2-dimethyloxasilinan-6-yl) octadecanoate?
(2,2-dimethyloxasilinan-6-yl) octadecanoate has a molecular weight of 412.73 g/mol, XLogP of 8.13, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyloxasilinan-6-yl) octadecanoate is sourced from PubChem (CID 174505601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).