17-ethylperoxy-17-methyltritriacontane

C36H74O2 — CID 173208911

IUPAC17-ethylperoxy-17-methyltritriacontane
SMILESCCCCCCCCCCCCCCCCC(C)(CCCCCCCCCCCCCCCC)OOCC
InChIInChI=1S/C36H74O2/c1-5-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36(4,38-37-7-3)35-33-31-29-27-25-23-21-19-17-15-13-11-9-6-2/h5-35H2,1-4H3
InChIKeyBBTOZDQVMXXBRZ-UHFFFAOYSA-N
MW538.99 g/mol
LogP13.46
Rot. Bonds33

About 17-ethylperoxy-17-methyltritriacontane

17-ethylperoxy-17-methyltritriacontane (PubChem CID 173208911) has the molecular formula C36H74O2 and a molecular weight of 538.99 g/mol. Its IUPAC name is 17-ethylperoxy-17-methyltritriacontane.

Molecular Properties

Compound Name17-ethylperoxy-17-methyltritriacontane
PubChem CID173208911
Molecular FormulaC36H74O2
Molecular Weight538.99 g/mol
Exact Mass538.57
IUPAC Name17-ethylperoxy-17-methyltritriacontane
SMILESCCCCCCCCCCCCCCCCC(C)(CCCCCCCCCCCCCCCC)OOCC
InChIInChI=1S/C36H74O2/c1-5-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36(4,38-37-7-3)35-33-31-29-27-25-23-21-19-17-15-13-11-9-6-2/h5-35H2,1-4H3
InChIKeyBBTOZDQVMXXBRZ-UHFFFAOYSA-N
XLogP13.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds33
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.99
LogP ≤ 513.46
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

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9-heptoxy-9-methylhenicosane
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5,5,6,6-tetramethyltridecane
CID 173349107
5,5-bis(ethylperoxy)nonane
CID 59925772
2-ethoxytetradecan-2-ol
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2,2-diethoxynonane
CID 89439020
2-ethoxy-2-methylundecane
CID 150956805
16,16,21,21-tetramethylhexatriacontane
CID 174880889
11-methyl-11-nonylhenicosane
CID 19690388
13-methyl-13-octylhentriacontane
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Frequently Asked Questions

What is the IUPAC name of 17-ethylperoxy-17-methyltritriacontane?
The IUPAC name of 17-ethylperoxy-17-methyltritriacontane (CID 173208911) is 17-ethylperoxy-17-methyltritriacontane.
What is the SMILES notation for 17-ethylperoxy-17-methyltritriacontane?
The canonical SMILES for 17-ethylperoxy-17-methyltritriacontane is CCCCCCCCCCCCCCCCC(C)(CCCCCCCCCCCCCCCC)OOCC.
What is the InChIKey of 17-ethylperoxy-17-methyltritriacontane?
The InChIKey is BBTOZDQVMXXBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H74O2/c1-5-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36(4,38-37-7-3)35-33-31-29-27-25-23-21-19-17-15-13-11-9-6-2/h5-35H2,1-4H3.
What are the key properties of 17-ethylperoxy-17-methyltritriacontane?
17-ethylperoxy-17-methyltritriacontane has a molecular weight of 538.99 g/mol, XLogP of 13.46, 33 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-ethylperoxy-17-methyltritriacontane is sourced from PubChem (CID 173208911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).