5-(tert-butylperoxymethyl)undecane

C16H34O2 — CID 150085123

IUPAC5-(tert-butylperoxymethyl)undecane
SMILESCCCCCCC(CCCC)COOC(C)(C)C
InChIInChI=1S/C16H34O2/c1-6-8-10-11-13-15(12-9-7-2)14-17-18-16(3,4)5/h15H,6-14H2,1-5H3
InChIKeyDSBKCMSQWUAMHF-UHFFFAOYSA-N
MW258.45 g/mol
LogP5.51
Rot. Bonds11

About 5-(tert-butylperoxymethyl)undecane

5-(tert-butylperoxymethyl)undecane (PubChem CID 150085123) has the molecular formula C16H34O2 and a molecular weight of 258.45 g/mol. Its IUPAC name is 5-(tert-butylperoxymethyl)undecane.

Molecular Properties

Compound Name5-(tert-butylperoxymethyl)undecane
PubChem CID150085123
Molecular FormulaC16H34O2
Molecular Weight258.45 g/mol
Exact Mass258.26
IUPAC Name5-(tert-butylperoxymethyl)undecane
SMILESCCCCCCC(CCCC)COOC(C)(C)C
InChIInChI=1S/C16H34O2/c1-6-8-10-11-13-15(12-9-7-2)14-17-18-16(3,4)5/h15H,6-14H2,1-5H3
InChIKeyDSBKCMSQWUAMHF-UHFFFAOYSA-N
XLogP5.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.45
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

15-(2-tetradecyloctadecoxymethyl)hentriacontane
CID 19909391
6-butylhenicosane
CID 91802566
13-butyldotriacontane
CID 91613083
14-butylheptatriacontane
CID 91361474
16-butylhentriacontane
CID 91509035
19-(methoxymethyl)heptatriacontane
CID 59499210
5-(methoxymethyl)decane
CID 123387036
7-(2-ethylhexoxymethyl)pentadecane
CID 134599291
2-decylhexadecyl 2-decyloctadecanoate
CID 139900333
CID 178056197
CID 178056197
17-pentylhexatriacontane
CID 91327833
11-pentylheptacosane
CID 91575569

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylperoxymethyl)undecane?
The IUPAC name of 5-(tert-butylperoxymethyl)undecane (CID 150085123) is 5-(tert-butylperoxymethyl)undecane.
What is the SMILES notation for 5-(tert-butylperoxymethyl)undecane?
The canonical SMILES for 5-(tert-butylperoxymethyl)undecane is CCCCCCC(CCCC)COOC(C)(C)C.
What is the InChIKey of 5-(tert-butylperoxymethyl)undecane?
The InChIKey is DSBKCMSQWUAMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2/c1-6-8-10-11-13-15(12-9-7-2)14-17-18-16(3,4)5/h15H,6-14H2,1-5H3.
What are the key properties of 5-(tert-butylperoxymethyl)undecane?
5-(tert-butylperoxymethyl)undecane has a molecular weight of 258.45 g/mol, XLogP of 5.51, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylperoxymethyl)undecane is sourced from PubChem (CID 150085123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).