3-(5,8,8-trimethyldodecan-5-yl)dioxirane

C16H32O2 — CID 22990318

IUPAC3-(5,8,8-trimethyldodecan-5-yl)dioxirane
SMILESCCCCC(C)(C)CCC(C)(CCCC)C1OO1
InChIInChI=1S/C16H32O2/c1-6-8-10-15(3,4)12-13-16(5,11-9-7-2)14-17-18-14/h14H,6-13H2,1-5H3
InChIKeyZLUFKBUKSBJZKB-UHFFFAOYSA-N
MW256.43 g/mol
LogP5.47
Rot. Bonds10

About 3-(5,8,8-trimethyldodecan-5-yl)dioxirane

3-(5,8,8-trimethyldodecan-5-yl)dioxirane (PubChem CID 22990318) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 3-(5,8,8-trimethyldodecan-5-yl)dioxirane.

Molecular Properties

Compound Name3-(5,8,8-trimethyldodecan-5-yl)dioxirane
PubChem CID22990318
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name3-(5,8,8-trimethyldodecan-5-yl)dioxirane
SMILESCCCCC(C)(C)CCC(C)(CCCC)C1OO1
InChIInChI=1S/C16H32O2/c1-6-8-10-15(3,4)12-13-16(5,11-9-7-2)14-17-18-14/h14H,6-13H2,1-5H3
InChIKeyZLUFKBUKSBJZKB-UHFFFAOYSA-N
XLogP5.47
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-(5,8,8-trimethyldodecan-5-yl)dioxirane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5,8,8-trimethyldodecan-5-yl)dioxirane?
The IUPAC name of 3-(5,8,8-trimethyldodecan-5-yl)dioxirane (CID 22990318) is 3-(5,8,8-trimethyldodecan-5-yl)dioxirane.
What is the SMILES notation for 3-(5,8,8-trimethyldodecan-5-yl)dioxirane?
The canonical SMILES for 3-(5,8,8-trimethyldodecan-5-yl)dioxirane is CCCCC(C)(C)CCC(C)(CCCC)C1OO1.
What is the InChIKey of 3-(5,8,8-trimethyldodecan-5-yl)dioxirane?
The InChIKey is ZLUFKBUKSBJZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-6-8-10-15(3,4)12-13-16(5,11-9-7-2)14-17-18-14/h14H,6-13H2,1-5H3.
What are the key properties of 3-(5,8,8-trimethyldodecan-5-yl)dioxirane?
3-(5,8,8-trimethyldodecan-5-yl)dioxirane has a molecular weight of 256.43 g/mol, XLogP of 5.47, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,8,8-trimethyldodecan-5-yl)dioxirane is sourced from PubChem (CID 22990318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).