2-propyldodecaneperoxoic acid

C15H30O3 — CID 23173793

IUPAC2-propyldodecaneperoxoic acid
SMILESCCCCCCCCCCC(CCC)C(=O)OO
InChIInChI=1S/C15H30O3/c1-3-5-6-7-8-9-10-11-13-14(12-4-2)15(16)18-17/h14,17H,3-13H2,1-2H3
InChIKeyXEJPFQPRJXRDLC-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.95
Rot. Bonds12

About 2-propyldodecaneperoxoic acid

2-propyldodecaneperoxoic acid (PubChem CID 23173793) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is 2-propyldodecaneperoxoic acid.

Molecular Properties

Compound Name2-propyldodecaneperoxoic acid
PubChem CID23173793
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name2-propyldodecaneperoxoic acid
SMILESCCCCCCCCCCC(CCC)C(=O)OO
InChIInChI=1S/C15H30O3/c1-3-5-6-7-8-9-10-11-13-14(12-4-2)15(16)18-17/h14,17H,3-13H2,1-2H3
InChIKeyXEJPFQPRJXRDLC-UHFFFAOYSA-N
XLogP4.95
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.95
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

2-propylnonanoyl 2-propylnonanoate
CID 54359138
2-(sulfanylmethyl)octadecaneperoxoic acid
CID 88848144
methyl 2-propyltetradecanoate
CID 174361538
2-octylbutanediperoxoic acid
CID 15919706
propyl 2-propyldecanoate
CID 138561183
hydroxymethyl 2-propyldodecanoate
CID 175526822
ethyl 2-hexyloctanoate
CID 18373010
ethyl 2-dodecyltetradecanoate
CID 125289764
tert-butyl 2-propyldecanoate
CID 141018568
2-prop-2-enyloctadecaneperoxoic acid
CID 87139819
CID 173066597
CID 173066597
methyl 2-undecyltridecanoate
CID 176610383

Frequently Asked Questions

What is the IUPAC name of 2-propyldodecaneperoxoic acid?
The IUPAC name of 2-propyldodecaneperoxoic acid (CID 23173793) is 2-propyldodecaneperoxoic acid.
What is the SMILES notation for 2-propyldodecaneperoxoic acid?
The canonical SMILES for 2-propyldodecaneperoxoic acid is CCCCCCCCCCC(CCC)C(=O)OO.
What is the InChIKey of 2-propyldodecaneperoxoic acid?
The InChIKey is XEJPFQPRJXRDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-3-5-6-7-8-9-10-11-13-14(12-4-2)15(16)18-17/h14,17H,3-13H2,1-2H3.
What are the key properties of 2-propyldodecaneperoxoic acid?
2-propyldodecaneperoxoic acid has a molecular weight of 258.40 g/mol, XLogP of 4.95, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyldodecaneperoxoic acid is sourced from PubChem (CID 23173793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).