10,10-diethyl-1-(trioxidanyl)dodecane

C16H34O3 — CID 140733466

IUPAC10,10-diethyl-1-(trioxidanyl)dodecane
SMILESCCC(CC)(CC)CCCCCCCCCOOO
InChIInChI=1S/C16H34O3/c1-4-16(5-2,6-3)14-12-10-8-7-9-11-13-15-18-19-17/h17H,4-15H2,1-3H3
InChIKeyYVDDYFTZSNAAOJ-UHFFFAOYSA-N
MW274.44 g/mol
LogP5.74
Rot. Bonds14

About 10,10-diethyl-1-(trioxidanyl)dodecane

10,10-diethyl-1-(trioxidanyl)dodecane (PubChem CID 140733466) has the molecular formula C16H34O3 and a molecular weight of 274.44 g/mol. Its IUPAC name is 10,10-diethyl-1-(trioxidanyl)dodecane.

Molecular Properties

Compound Name10,10-diethyl-1-(trioxidanyl)dodecane
PubChem CID140733466
Molecular FormulaC16H34O3
Molecular Weight274.44 g/mol
Exact Mass274.25
IUPAC Name10,10-diethyl-1-(trioxidanyl)dodecane
SMILESCCC(CC)(CC)CCCCCCCCCOOO
InChIInChI=1S/C16H34O3/c1-4-16(5-2,6-3)14-12-10-8-7-9-11-13-15-18-19-17/h17H,4-15H2,1-3H3
InChIKeyYVDDYFTZSNAAOJ-UHFFFAOYSA-N
XLogP5.74
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.44
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

13,13-dibutyl-1-(trioxidanyl)heptadecane
CID 140639980
1-(5,5-diethylheptylperoxy)-5,5-diethylheptane
CID 57309065
1,9-bis(trioxidanyl)nonane
CID 175757644
1-(trioxidanyl)tetradecane
CID 90111770
7,7-diethylnonyl acetate
CID 161418665
4,4-diethylhexoxysilane
CID 123746952
8-(trioxidanyl)octan-1-ol
CID 87737807
1-hydroperoxyperoxy-9,9-dimethyldecane
CID 140733484
1-chloro-8,8-diethyldecane
CID 141051096
18,18-diethylicosan-1-amine
CID 87504312
1-bromo-16,16-diethyloctadecane
CID 141121710
4,4-diethylhexyl acetate
CID 150852527

Frequently Asked Questions

What is the IUPAC name of 10,10-diethyl-1-(trioxidanyl)dodecane?
The IUPAC name of 10,10-diethyl-1-(trioxidanyl)dodecane (CID 140733466) is 10,10-diethyl-1-(trioxidanyl)dodecane.
What is the SMILES notation for 10,10-diethyl-1-(trioxidanyl)dodecane?
The canonical SMILES for 10,10-diethyl-1-(trioxidanyl)dodecane is CCC(CC)(CC)CCCCCCCCCOOO.
What is the InChIKey of 10,10-diethyl-1-(trioxidanyl)dodecane?
The InChIKey is YVDDYFTZSNAAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3/c1-4-16(5-2,6-3)14-12-10-8-7-9-11-13-15-18-19-17/h17H,4-15H2,1-3H3.
What are the key properties of 10,10-diethyl-1-(trioxidanyl)dodecane?
10,10-diethyl-1-(trioxidanyl)dodecane has a molecular weight of 274.44 g/mol, XLogP of 5.74, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-diethyl-1-(trioxidanyl)dodecane is sourced from PubChem (CID 140733466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).