4-hydroperoxyperoxy-4-propylpentadecane

C18H38O4 — CID 140640166

IUPAC4-hydroperoxyperoxy-4-propylpentadecane
SMILESCCCCCCCCCCCC(CCC)(CCC)OOOO
InChIInChI=1S/C18H38O4/c1-4-7-8-9-10-11-12-13-14-17-18(15-5-2,16-6-3)20-22-21-19/h19H,4-17H2,1-3H3
InChIKeyVUPFGWZMEGHCNC-UHFFFAOYSA-N
MW318.50 g/mol
LogP6.60
Rot. Bonds17

About 4-hydroperoxyperoxy-4-propylpentadecane

4-hydroperoxyperoxy-4-propylpentadecane (PubChem CID 140640166) has the molecular formula C18H38O4 and a molecular weight of 318.50 g/mol. Its IUPAC name is 4-hydroperoxyperoxy-4-propylpentadecane.

Molecular Properties

Compound Name4-hydroperoxyperoxy-4-propylpentadecane
PubChem CID140640166
Molecular FormulaC18H38O4
Molecular Weight318.50 g/mol
Exact Mass318.28
IUPAC Name4-hydroperoxyperoxy-4-propylpentadecane
SMILESCCCCCCCCCCCC(CCC)(CCC)OOOO
InChIInChI=1S/C18H38O4/c1-4-7-8-9-10-11-12-13-14-17-18(15-5-2,16-6-3)20-22-21-19/h19H,4-17H2,1-3H3
InChIKeyVUPFGWZMEGHCNC-UHFFFAOYSA-N
XLogP6.60
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5-butyl-5-hydroperoxyperoxyhexadecane
CID 140639997
3-ethyl-3-hydroperoxyperoxyundecane
CID 140733468
11-propyl-11-(11-propylhenicosan-11-ylperoxy)henicosane
CID 155668142
4-propoxyperoxy-4-propylundecane
CID 90111680
4-propoxyperoxy-4-propylhexadecane
CID 90111121
5-butoxyperoxy-5-butylheptadecane
CID 90109900
10-methoxy-10-propylicosane
CID 158279749
10-methoxy-10-propyltricosane
CID 159618690
3-ethyl-3-hydroperoxytridecane
CID 140733477
14-tridecyloctacosan-14-yloxysilane
CID 173060340
11-methoxy-11-nonyltetracosane
CID 159441841
17-hexadecyltetratriacontan-17-yloxysilane
CID 173060502

Frequently Asked Questions

What is the IUPAC name of 4-hydroperoxyperoxy-4-propylpentadecane?
The IUPAC name of 4-hydroperoxyperoxy-4-propylpentadecane (CID 140640166) is 4-hydroperoxyperoxy-4-propylpentadecane.
What is the SMILES notation for 4-hydroperoxyperoxy-4-propylpentadecane?
The canonical SMILES for 4-hydroperoxyperoxy-4-propylpentadecane is CCCCCCCCCCCC(CCC)(CCC)OOOO.
What is the InChIKey of 4-hydroperoxyperoxy-4-propylpentadecane?
The InChIKey is VUPFGWZMEGHCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O4/c1-4-7-8-9-10-11-12-13-14-17-18(15-5-2,16-6-3)20-22-21-19/h19H,4-17H2,1-3H3.
What are the key properties of 4-hydroperoxyperoxy-4-propylpentadecane?
4-hydroperoxyperoxy-4-propylpentadecane has a molecular weight of 318.50 g/mol, XLogP of 6.60, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroperoxyperoxy-4-propylpentadecane is sourced from PubChem (CID 140640166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).